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: | 898 | |
|---|---|---|
| Name: | (4S,5R)-5-amino-4-chloro-2-phenyl-1,2-diazinan-3-one | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Pyrazon | |
| Labels: | ||
| CAS: | 1698-60-8 | |
| InChi Code: | InChI=1S/C10H12ClN3O/c11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7/h1-5,8-9,13H,6,12H2/t8-,9+/m1/s1 |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 2.07 |
experimental value |
| 1.7615 |
Tab2.Model_2: logKoc (Training set) |