WebAbout the nodes. This node uses the network service CIR (Chemical Identifier Resolver) by the CADD Group at the NCI/NIH as a resolver for different chemical structure identifiers and allows one to convert a given structure identifier into another representation or structure identifier. The input structure identifier type can be one of the ... 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 …
Chemical Identifier Resolver for KNIME (trusted extension)
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) 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 … t shirt printing companies in washington dc
Chemistry Programming with Python - InChI Trust
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 … Webis.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 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 t shirt printing companies in zambia