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: | 1052 | |
|---|---|---|
| Name: | 1-[(2R)-2-(2,4-dichlorophenyl)-2-(prop-2-en-1-yloxy)ethyl]-1H-imidazole | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Imazalil | |
| Labels: | ||
| CAS: | 35554-44-0 | |
| InChi Code: | InChI=1S/C14H14Cl2N2O/c1-2-7-19-14(9-18-6-5-17-10-18)12-4-3-11(15)8-13(12)16/h2-6,8,10,14H,1,7,9H2/t14-/m0/s1 |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 3.73 |
experimental value |
| 3.6165 |
Tab2.Model_2: logKoc (Training set) |