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: | 1081 | |
|---|---|---|
| Name: | (2R)-2-(3,5-dichlorophenyl)-2-(2,2,2-trichloroethyl)oxirane | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Tridiphane | |
| Labels: | ||
| CAS: | 58138-08-2 | |
| InChi Code: | InChI=1S/C10H7Cl5O/c11-7-1-6(2-8(12)3-7)9(5-16-9)4-10(13,14)15/h1-3H,4-5H2/t9-/m0/s1 |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 3.75 |
experimental value |
| 3.6946 |
Tab2.Model_2: logKoc (Training set) |