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: | 608 | |
|---|---|---|
| Name: | (2S)-2-(4-chloro-2-methylphenoxy)propanoic acid | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Mecoprop | |
| Labels: | ||
| CAS: | 7085-19-0 | |
| InChi Code: | InChI=1S/C10H11ClO3/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13/h3-5,7H,1-2H3,(H,12,13)/t7-/m0/s1 |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 1.3 |
experimental value |
| 2.4588 |
Tab2.Model_2: logKoc (Training set) |
M3.GHLI: Global half-life index i
| Value | Source or prediction |
|---|---|
| -1.16188 |
experimental value |
| -0.3171 |
Tab2.Model_3: Global half-life index (Training set) |