43961 <common-name>sulfamidochrysoidine</common-name> <description nil="true"/> <cas>103-12-8</cas> <pubchem-id>66895</pubchem-id> <chemical-formula>C12H13N5O2S</chemical-formula> <weight nil="true"/> <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">2016-06-03T10:20:24Z</created-at> <updated-at type="dateTime">2026-03-31T17:58:38Z</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 nil="true"/> <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>NC1=CC(N)=C(C=C1)N=NC1=CC=C(C=C1)S(N)(=O)=O</moldb-smiles> <moldb-formula>C12H13N5O2S</moldb-formula> <moldb-inchi>InChI=1S/C12H13N5O2S/c13-8-1-6-12(11(14)7-8)17-16-9-2-4-10(5-3-9)20(15,18)19/h1-7H,13-14H2,(H2,15,18,19)</moldb-inchi> <moldb-inchikey>ABBQGOCHXSPKHJ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">291.33</moldb-average-mass> <moldb-mono-mass type="decimal">291.078995853</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>60257</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>CHEM042856</chemdb-id> <dsstox-id>DTXSID60145608</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin>Oberacher 2011</stoff-ident-origin> <stoff-ident-id>SI00001359</stoff-ident-id> <susdat-id>NS00009768</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>136.92</moldb-polar-surface-area> <moldb-refractivity>81.93570000000001</moldb-refractivity> <moldb-polarizability>29.42340498099215</moldb-polarizability> <moldb-rotatable-bond-count>3</moldb-rotatable-bond-count> <moldb-acceptor-count>6</moldb-acceptor-count> <moldb-donor-count>3</moldb-donor-count> <moldb-pka-strongest-acidic>10.028823229344981</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>3.4329273289807527</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>2</moldb-number-of-rings> <moldb-alogps-logp>1.91</moldb-alogps-logp> <moldb-alogps-logs>-3.53</moldb-alogps-logs> <moldb-alogps-solubility>8.54e-02 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Organoheterocyclic compounds</superklass> <klass>Azobenzenes</klass> <subklass nil="true"/> <paper-count type="integer">17</paper-count> <sync-id nil="true"/> </compound>