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: | 51 | |
|---|---|---|
| Name: | N-{4-methoxy-6-[(propan-2-yl)imino]-1,2,5,6-tetrahydro-1,3,5-triazin-2-ylidene}propan-2-amine | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Prometon | |
| Labels: | ||
| CAS: | 1610-18-0 | |
| InChi Code: | InChI=1S/C10H19N5O/c1-6(2)11-8-13-9(12-7(3)4)15-10(14-8)16-5/h6-7H,1-5H3,(H2,11,12,13,14,15) |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 2.57 |
experimental value |
| 2.5794 |
Tab2.Model_2: logKoc (Training set) |
M22.pEC50: Daphnia toxicity as log(1/EC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 4.05 |
experimental value |
| 3.8347 |
Tab2.Model_22: (B)TAZ D.magna EC50 (Training set) |