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: | 1792 | |
|---|---|---|
| Name: | 1-[4-(dimethylamino)-3-methylphenoxy]-N-methylmethanimidic acid | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Aminocarb | |
| Labels: | ||
| CAS: | 2032-59-9 | |
| InChi Code: | InChI=1S/C11H16N2O2/c1-8-7-9(15-11(14)12-2)5-6-10(8)13(3)4/h5-7H,1-4H3,(H,12,14) |
Properties
M1.pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 5.03 |
experimental value |
| 3.8771 |
Tab2.Model_1: P. promelas LC50 (Training set) |