Inchikey

WebInChI (International Chemical Identifier)は、標準的かつ人間が読める方法で 分子 情報を提供し、またウェブ上での データベース からの情報の検索機能を提供する。. 元々、2000 … WebThe InChIKey subdomain of PubChemRDF. An official website of the United States government. Here is how you know. The .gov means it’s official. Federal government …

InChIKey generator - www.InChI.info

WebJan 24, 2024 · InChIKey Identifier: QIVBCDIJIAJPQS-FKOBDKTLDJ CAS Number: 73-22-3 MDL Number: MFCD00064340 Melting point: 280-285 °C Solubility in water: 11,4 g/L (20 °C); pKa - 2,83; pKb - 9,39 IR and H1 NMR spectrum: n/a MSDS (Material Safety Data Sheet): n/a 2D Molfile: Get the molfile 3D PDB file: Get the PDB file WebInChIKey checker The last character of an InChIKey is computed from the rest of the InChIKey and can be used to determine if the key wasn’t unintentionally changed during transmission. Using our online service, you can easily check if an InChIKey is valid – the last character matches the rest of the key. Enter your InChIKey below: InChIKey: ios chrome safari https://edbowegolf.com

Introduction to classyfireR • classyfireR - GitHub Pages

WebDec 20, 2012 · InChIKey is a 27-character compacted (hashed) version of InChI which is intended for Internet and database searching/indexing and is based on an SHA-256 hash of the InChI character string. The first block of InChIKey encodes molecular skeleton while the second block represents various kinds of isomerism (stereo, tautomeric, etc.). WebProperty Name Property Value Reference; Molecular Weight: 385.8: Computed by PubChem 2.1 (PubChem release 2024.05.07) XLogP3-AA: 2.6: Computed by XLogP3 3.0 (PubChem release 2024.05.07) http://inchi.info/keychecker_en.html ios chrome flags

InChIKey checker - www.InChI.info

Category:InChI format (inchi) — Open Babel v2.3.1 documentation

Tags:Inchikey

Inchikey

八氯化萘(2234-13-1)傅里叶红外光谱图

WebFeb 1, 2024 · The InChI and InChIKey have become essential tools for scientists worldwide, providing a new Common Language for Chemistry. The power of these tools allows … WebAug 11, 2024 · The hash function generates a standard key of 27 characters that stores information in four parts (see figure 5). The InChIKey may be a standard or nonstandard …

Inchikey

Did you know?

WebNov 3, 2024 · is.inchikey: Check if input is a valid inchikey; is.inchikey_cs: Check if input is a valid inchikey using ChemSpider API; is.inchikey_format: Check if input is a valid inchikey using format; is.smiles: Check if input is a SMILES string; jagst: Organic plant protection products in the river Jagst /... lc50: Acute toxicity data from U.S. EPA ECOTOX WebChemicalBook 提供有关八氯化萘(2234-13-1)傅里叶红外光谱图的核磁图,红外图谱,Raman光谱,质谱等图谱

WebSep 1, 2024 · Viewed 773 times 2 I would like to retrieve IDs from several databases using InChI as an input, e.g. InChI=1S/C6H14N2O2/c7-4-2-1-3-5 (8)6 (9)10/h5H,1-4,7-8H2, … WebInChIKey - InChIKey is a condensed version of the InChI string of a chemical substance, developed under the auspices of IUPAC (International Union of Pure and Applied …

Web鄰甲酚酞（英語： o-Cresolphthalein ）是酸鹼指示劑，分子式為C 22 H 18 O 4 。 它不溶於水，但溶於乙醇。 其溶液在pH值8.2以下為無色，在9.8以上為紫色。它在醫學上用於測定人體內的鈣含量，或用於合成聚酰胺或聚酰亞胺。. 參考資料 WebDec 5, 2024 · Category Thermodynamics. (Modified 26 November 2024) CAS Registry Numbers are a common component identifier used in many property database files. Therefore, they can often be used to convert to different identifiers like e.g. SMILES strings. This article shows you how to automatically convert CAS Registry Numbers into another …

WebThis API uses the Chemical Translation Service made by the Fiehn Lab - check it out here. For citation: Gert Wohlgemuth, Pradeep Kumar Haldiya, Egon Willighagen, Tobias Kind, Oliver Fiehn, The Chemical Translation Service—a web-based tool to improve standardization of metabolomic reports, Bioinformatics, Volume 26, Issue 20, 15 October 2010 ...

WebIUPAC Standard InChIKey: WEVYAHXRMPXWCK-UHFFFAOYSA-N Copy CAS Registry Number: 75-05-8 Chemical structure: This structure is also available as a 2d Mol file or as a computed 3d SD file The 3d structure may be viewed using Java or Javascript. Other names: Cyanomethane; Ethanenitrile; Ethyl nitrile; Methane, cyano-; Methanecarbonitrile; Methyl … on the tiangong space stationWebMay 30, 2015 · InChI is a non-proprietary, Open Source, chemical identifier intended to be an IUPAC approved and endorsed structure standard representation. The following features … ios chrome 下载文件WebUniChem provides the option to input either InChI or InChIKey identifiers instead of src_compound_ids. Just paste in your query string, select the appropriate search criteria and click to submit the search. Continuing on with the previous example of yohimbine, you can try a UniChem search using the identifiers below (Figure 5): ios chrome安装插件WebInChIKey (inchikey) ¶ A hashed representation of the InChI. The InChIKey is a fixed-length (27-character) condensed digital representation of an InChI, developed to make it easy to … ios chrome http proxyWebEl trifosfat d'adenosina, àcid adenosinatrifosfòric, adenosinatrifosfat o adenosina-5'-trifosfat (ATP) és un nucleòtid multifuncional que té un paper important en la biologia cel·lular … on the tiles podcastWebInChIKey is a hashed version of InChI which allows for a compact representation and for searching in standard search engines like Google. Where are InChI and the InChIKey … ios chrome restore closed tabsWebInChI Keys are generated using algorithms that take into account the structure of the chemical compound, including its atoms, bonds, and other structural features. The InChI … on the time