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: | 634 | |
|---|---|---|
| Name: | (2S)-propane-1,2-diol | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Propyleneglycol | |
| Labels: | ||
| CAS: | 57-55-6 | |
| InChi Code: | InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3/t3-/m0/s1 |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 0.36 |
experimental value |
| 0.8401 |
Tab2.Model_2: logKoc (Training set) |