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: | 1528 | |
|---|---|---|
| Name: | 3,5-dichloro-N-[(3R)-1-chloro-3-methyl-2-oxopentan-3-yl]-4-methylbenzene-1-carboximidic acid | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Zoxamide | |
| Labels: | ||
| CAS: | 156052-68-5 | |
| InChi Code: | InChI=1S/C14H16Cl3NO2/c1-4-14(3,12(19)7-15)18-13(20)9-5-10(16)8(2)11(17)6-9/h5-6H,4,7H2,1-3H3,(H,18,20)/t14-/m1/s1 |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| 0.160825461 |
experimental value |
| 0.128 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |