Gramatica, P.; Cassani, S.; Chirico, N. QSARINS-chem: Insubria datasets and new QSAR/QSPR models for environmental pollutants in QSARINS. J. Comput. Chem. 2014, 35, 1036–1044.
Compound
| ID: | 1345 | |
|---|---|---|
| Name: | 3-nitro-N-phenyl-4-(phenylamino)benzene-1-sulfonamide | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Benzenesulfonamide. 3-nitro-N-phenyl-4-(phenylamino)- The representation of nitro groups was fixed | |
| Labels: | ||
| CAS: | 5124-25-4 | |
| InChi Code: | InChI=1S/C18H15N3O4S/c22-21(23)18-13-16(26(24,25)20-15-9-5-2-6-10-15)11-12-17(18)19-14-7-3-1-4-8-14/h1-13,19-20H |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| -0.659174539 |
experimental value |
| -0.4703 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |