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Inchikey

WebInChI 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 … WebThis service works as a resolver for different chemical structure identifiers and allows one to convert a given structure identifier into another representation or structure identifier. It …

InChI and InChIKey search UniChem - European Bioinformatics …

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): WebInChIKey generator - www.InChI.info InChIKey generator This online service lets you generate an InChIKey from InChI. It uses our reimplementation of the InChI->InChIKey … little dipper campground rock creek https://login-informatica.com

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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 http://inchi.info/inchi_comparison_en.html 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, … little dipper nyt crossword

InChIKey - PubChem

Category:InChIKey - PubChem

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Inchikey

Introduction to classyfireR • classyfireR - GitHub Pages

WebNote. UNIIs are generated based on scientific identity characteristics using ISO 11238 data elements. UNII availability does not imply any regulatory review or approval. 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 …

Inchikey

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http://inchi.info/inchikey_overview_en.html WebJul 4, 2015 · The InChIKey is a character signature based on a hash code of the InChI string. A hash code is a fixed length condensed digital representation of a variable length …

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 … WebMay 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 …

WebInChI and InChIKey identifiers are displayed for caffeine and 1-[(E)-2-fluorovinyl]-3-nitrobenzene. Source publication. Chemoinformatics-based enumeration of chemical libraries: a tutorial. http://inchi.info/keygenerator_en.html

WebInChIKey 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 …

WebInChIKey is a fixed-length format directly derived from InChI. It is based on a strong hash (SHA-256 algorithm) of an InChI string. Because of the hash nature of the InChIKey, there … little dipper ice cream shop new mexicohttp://inchi.info/keygenerator_en.html little dirt bandWebN-Methyl-1H-pyrazole-1-ethanamine trihydrochloride, CAS号949100-10-1, 分子量为234.55, 分子式C6H14Cl3N3, 标准纯度95%, 毕得医药(Bidepharm)提供949100-10-1批次质检（如NMR, HPLC, GC）等检测报告。 little dipper three lakesWebInChIKey: QJZUKDFHGGYHMC-UHFFFAOYSA-N CAS 数据库: 500-22-1(CAS DataBase Reference) NIST化学物质信息: 3-Pyridinecarboxaldehyde(500-22-1) EPA化学物质信息: 3-Pyridinecarboxaldehyde (500-22-1) little directoryWebDec 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.). little dirt on my boots songWebJan 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 little dishes potteryWebThe 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 … little dipper warmer recipes