18700 <common-name>2-Chloro-5-nitro-N-phenylbenzamide</common-name> <description nil="true"/> <cas>22978-25-2</cas> <pubchem-id>644213</pubchem-id> <chemical-formula>C13H9ClN2O3</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">2016-05-22T04:29:14Z</created-at> <updated-at type="dateTime">2026-04-14T17:07:49Z</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>DB07863</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>[O-][N+](=O)C1=CC=C(Cl)C(=C1)C(=O)NC1=CC=CC=C1</moldb-smiles> <moldb-formula>C13H9ClN2O3</moldb-formula> <moldb-inchi>InChI=1S/C13H9ClN2O3/c14-12-7-6-10(16(18)19)8-11(12)13(17)15-9-4-2-1-3-5-9/h1-8H,(H,15,17)</moldb-inchi> <moldb-inchikey>DNTSIBUQMRRYIU-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">276.675</moldb-average-mass> <moldb-mono-mass type="decimal">276.030169871</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <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>CHEM017595</chemdb-id> <dsstox-id>DTXSID8040723</dsstox-id> <toxcast-id>40723</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00068185</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>74.92</moldb-polar-surface-area> <moldb-refractivity>73.72100000000002</moldb-refractivity> <moldb-polarizability>26.13826172175542</moldb-polarizability> <moldb-rotatable-bond-count>3</moldb-rotatable-bond-count> <moldb-acceptor-count>3</moldb-acceptor-count> <moldb-donor-count>1</moldb-donor-count> <moldb-pka-strongest-acidic>11.311250106223028</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-4.317107164889544</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>2</moldb-number-of-rings> <moldb-alogps-logp>3.39</moldb-alogps-logp> <moldb-alogps-logs>-4.74</moldb-alogps-logs> <moldb-alogps-solubility>5.01e-03 g/l</moldb-alogps-solubility> </compound>