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: | 800 | |
|---|---|---|
| Name: | (1R)-1,2-dibromo-2,2-dichloroethyl dimethyl phosphate | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Naled | |
| Labels: | ||
| CAS: | 300-76-5 | |
| InChi Code: | InChI=1S/C4H7Br2Cl2O4P/c1-10-13(9,11-2)12-3(5)4(6,7)8/h3H,1-2H3/t3-/m0/s1 |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 2.23 |
experimental value |
| 2.0621 |
Tab2.Model_2: logKoc (Training set) |