18433 <common-name>Nevirapine</common-name> <description nil="true"/> <cas>129618-40-2</cas> <pubchem-id>4463</pubchem-id> <chemical-formula>C15H14N4O</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">2016-05-22T04:14:48Z</created-at> <updated-at type="dateTime">2026-05-14T16:24:51Z</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>DB00238</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>CC1=C2NC(=O)C3=C(N=CC=C3)N(C3CC3)C2=NC=C1</moldb-smiles> <moldb-formula>C15H14N4O</moldb-formula> <moldb-inchi>InChI=1S/C15H14N4O/c1-9-6-8-17-14-12(9)18-15(20)11-3-2-7-16-13(11)19(14)10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,18,20)</moldb-inchi> <moldb-inchikey>NQDJXKOVJZTUJA-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">266.2979</moldb-average-mass> <moldb-mono-mass type="decimal">266.11676109</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.49</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>4308</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>CHEM017328</chemdb-id> <dsstox-id>DTXSID7031797</dsstox-id> <toxcast-id>31797</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00004959</susdat-id> <iupac>2-cyclopropyl-7-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one</iupac> <moldb-polar-surface-area>58.120000000000005</moldb-polar-surface-area> <moldb-refractivity>77.482</moldb-refractivity> <moldb-polarizability>27.79965668476118</moldb-polarizability> <moldb-rotatable-bond-count>1</moldb-rotatable-bond-count> <moldb-acceptor-count>4</moldb-acceptor-count> <moldb-donor-count>1</moldb-donor-count> <moldb-pka-strongest-acidic>10.371185534086782</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>5.05792102225345</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>4</moldb-number-of-rings> <moldb-alogps-logp>1.75</moldb-alogps-logp> <moldb-alogps-logs>-3.41</moldb-alogps-logs> <moldb-alogps-solubility>1.05e-01 g/l</moldb-alogps-solubility> </compound>