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: | 1526 | |
|---|---|---|
| Name: | 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(R)-trifluoromethanesulfinyl]-1H-pyrazole-3-carbonitrile | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Fipronil | |
| Labels: | ||
| CAS: | 120068-37-3 | |
| InChi Code: | InChI=1S/C12H4Cl2F6N4OS/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)26(25)12(18,19)20/h1-2H,22H2/t26-/m1/s1 |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| -0.214174539 |
experimental value |
| 0.473 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |