23099 <common-name>2-Hydroxynevirapine</common-name> <description nil="true"/> <cas nil="true"/> <pubchem-id>10850461</pubchem-id> <chemical-formula>C15H14N4O2</chemical-formula> <weight>282.3</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">2016-05-25T18:17:37Z</created-at> <updated-at type="dateTime">2026-08-19T09:51:31Z</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>CC1=C2NC(=O)C3=C(N=CC=C3)N(C3CC3)C2=NC(O)=C1</moldb-smiles> <moldb-formula>C15H14N4O2</moldb-formula> <moldb-inchi>InChI=1S/C15H14N4O2/c1-8-7-11(20)17-14-12(8)18-15(21)10-3-2-6-16-13(10)19(14)9-4-5-9/h2-3,6-7,9H,4-5H2,1H3,(H,17,20)(H,18,21)</moldb-inchi> <moldb-inchikey>LFZSOJABLBVGRJ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">282.2973</moldb-average-mass> <moldb-mono-mass type="decimal">282.111675712</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>0.5</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <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>CHEM021994</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00116564</susdat-id> <iupac>2-cyclopropyl-7-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),6,12,14-pentaene-5,10-dione</iupac> <moldb-polar-surface-area>78.35000000000001</moldb-polar-surface-area> <moldb-refractivity>79.77640000000001</moldb-refractivity> <moldb-polarizability>28.827336558411808</moldb-polarizability> <moldb-rotatable-bond-count>1</moldb-rotatable-bond-count> <moldb-acceptor-count>5</moldb-acceptor-count> <moldb-donor-count>2</moldb-donor-count> <moldb-pka-strongest-acidic>10.27472347862628</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>3.4357909283949564</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>4</moldb-number-of-rings> <moldb-alogps-logp>1.68</moldb-alogps-logp> <moldb-alogps-logs>-2.80</moldb-alogps-logs> <moldb-alogps-solubility>4.50e-01 g/l</moldb-alogps-solubility> </compound>