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: | 820 | |
|---|---|---|
| Name: | (1E)-1,3-dichloroprop-1-ene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 1,3-Dichloropropene | |
| Labels: | ||
| CAS: | 542-75-6 | |
| InChi Code: | InChI=1S/C3H4Cl2/c4-2-1-3-5/h1-2H,3H2/b2-1+ |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 1.52 |
experimental value |
| 1.8949 |
Tab2.Model_2: logKoc (Training set) |