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: | 1090 | |
|---|---|---|
| Name: | (R)-cyano(3-phenoxyphenyl)methyl (1S,3S)-2,2-dimethyl-3-[(1S)-1,2,2,2-tetrabromoethyl]cyclopropane-1-carboxylate | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Tralomethrin | |
| Labels: | ||
| CAS: | 66841-25-6 | |
| InChi Code: | InChI=1S/C22H19Br4NO3/c1-21(2)17(19(23)22(24,25)26)18(21)20(28)30-16(12-27)13-7-6-10-15(11-13)29-14-8-4-3-5-9-14/h3-11,16-19H,1-2H3/t16-,17+,18+,19-/m0/s1 |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 5 |
experimental value |
| 5.8057 |
Tab2.Model_2: logKoc (Training set) |