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: | 1078 | |
|---|---|---|
| Name: | 1-(5-tert-butyl-2,3-dihydro-1,2-oxazol-3-ylidene)-3,3-dimethylurea | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Isouron | |
| Labels: | ||
| CAS: | 55861-78-4 | |
| InChi Code: | InChI=1S/C10H17N3O2/c1-10(2,3)7-6-8(12-15-7)11-9(14)13(4)5/h6H,1-5H3,(H,11,12,14) |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 2.47 |
experimental value |
| 2.2936 |
Tab2.Model_2: logKoc (Training set) |