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: | 81 | |
|---|---|---|
| Name: | 5-(methoxymethyl)-2-[(5R)-5-methyl-4-oxo-5-(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]pyridine-3-carboxylic acid | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Imazamox | |
| Labels: | ||
| CAS: | 114311-32-9 | |
| InChi Code: | InChI=1S/C15H19N3O4/c1-8(2)15(3)14(21)17-12(18-15)11-10(13(19)20)5-9(6-16-11)7-22-4/h5-6,8H,7H2,1-4H3,(H,19,20)(H,17,18,21)/t15-/m1/s1 |
Properties
M22.pEC50: Daphnia toxicity as log(1/EC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 3.4 |
experimental value |
| 3.5782 |
Tab2.Model_22: (B)TAZ D.magna EC50 (Training set) |