10967/177 - QDB Compounds

QsarDB Repository

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

ValueSource or prediction
1.52

experimental value

1.8949

Tab2.Model_2: logKoc (Training set)