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: | 1152 | |
|---|---|---|
| Name: | N-[3,3'-dimethyl-4'-(3-oxobutanamido)-[1,1'-biphenyl]-4-yl]-3-oxobutanamide | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Butanamide. N.N-(3.3-dimethyl[1.1-biphenyl]-4.4-diyl)bis[3-oxo- | |
| Labels: | ||
| CAS: | 91-96-3 | |
| InChi Code: | InChI=1S/C22H24N2O4/c1-13-9-17(5-7-19(13)23-21(27)11-15(3)25)18-6-8-20(14(2)10-18)24-22(28)12-16(4)26/h5-10H,11-12H2,1-4H3,(H,23,27)(H,24,28) |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| -1.499174539 |
experimental value |
| -0.611 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |