16397 <common-name>Amines, C10-14-branched and linear alkyl, bis[2,4-dihydro-4-[2-(2-hydroxy-4-nitrophenyl)diazenyl]-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)]chromate(1-)</common-name> <description nil="true"/> <cas>85029-57-8</cas> <pubchem-id>1048</pubchem-id> <chemical-formula>C3H4N2</chemical-formula> <weight>68.08</weight> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2016-05-19T04:47:42Z</created-at> <updated-at type="dateTime">2026-08-22T12:52:00Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id>DB02757</drugbank-id> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>N1C=CC=N1</moldb-smiles> <moldb-formula>C3H4N2</moldb-formula> <moldb-inchi>InChI=1S/C3H4N2/c1-2-4-5-3-1/h1-3H,(H,4,5)</moldb-inchi> <moldb-inchikey>WTKZEGDFNFYCGP-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">68.0773</moldb-average-mass> <moldb-mono-mass type="decimal">68.037448138</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>0.28</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>1019</chemspider-id> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM015292</chemdb-id> <dsstox-id>DTXSID2059774</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin>REACH</stoff-ident-origin> <stoff-ident-id>SI00001172</stoff-ident-id> <susdat-id>NS00014209</susdat-id> <iupac>1H-pyrazole</iupac> <moldb-polar-surface-area>28.68</moldb-polar-surface-area> <moldb-refractivity>19.7454</moldb-refractivity> <moldb-polarizability>6.529025847093586</moldb-polarizability> <moldb-rotatable-bond-count>0</moldb-rotatable-bond-count> <moldb-acceptor-count>1</moldb-acceptor-count> <moldb-donor-count>1</moldb-donor-count> <moldb-pka-strongest-acidic>14.62622177034995</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>2.1688885618093927</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>1</moldb-number-of-rings> <moldb-alogps-logp>0.03</moldb-alogps-logp> <moldb-alogps-logs>0.85</moldb-alogps-logs> <moldb-alogps-solubility>4.84e+02 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Organoheterocyclic compounds</superklass> <klass>Azoles</klass> <subklass>Pyrazoles</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0016397</sync-id> </compound>