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: | 759 | |
|---|---|---|
| Name: | (2S)-2-(2,4-dichlorophenoxy)propanoic acid | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Dichloroprop | |
| Labels: | ||
| CAS: | 120-36-5 | |
| InChi Code: | InChI=1S/C9H8Cl2O3/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11/h2-5H,1H3,(H,12,13)/t5-/m0/s1 |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 3 |
experimental value |
| 2.4911 |
Tab2.Model_2: logKoc (Training set) |