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: | 914 | |
|---|---|---|
| Name: | (2S)-but-3-yn-2-yl N-(3-chlorophenyl)carbamate | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Chlorbufam | |
| Labels: | ||
| CAS: | 1967-16-4 | |
| InChi Code: | InChI=1S/C11H10ClNO2/c1-3-8(2)15-11(14)13-10-6-4-5-9(12)7-10/h1,4-8H,2H3,(H,13,14)/t8-/m0/s1 |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 2.21 |
experimental value |
| 2.1472 |
Tab2.Model_2: logKoc (Training set) |