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: | 1089 | |
|---|---|---|
| Name: | ethyl (2R)-2-{4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy}propanoate | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Fenoxaprop-Ethyl | |
| Labels: | ||
| CAS: | 66441-23-4 | |
| InChi Code: | InChI=1S/C18H16ClNO5/c1-3-22-17(21)11(2)23-13-5-7-14(8-6-13)24-18-20-15-9-4-12(19)10-16(15)25-18/h4-11H,3H2,1-2H3/t11-/m1/s1 |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 3.98 |
experimental value |
| 4.2838 |
Tab2.Model_2: logKoc (Training set) |