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: | 1107 | |
|---|---|---|
| Name: | {2-methyl-[1,1'-biphenyl]-3-yl}methyl (1R,3R)-3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropane-1-carboxylate | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Bifenthrin | |
| Labels: | ||
| CAS: | 82657-04-3 | |
| InChi Code: | InChI=1S/C23H22ClF3O2/c1-14-16(10-7-11-17(14)15-8-5-4-6-9-15)13-29-21(28)20-18(22(20,2)3)12-19(24)23(25,26)27/h4-12,18,20H,13H2,1-3H3/b19-12-/t18-,20-/m0/s1 |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 5.35 |
experimental value |
| 4.8033 |
Tab2.Model_2: logKoc (Training set) |