10967/177 - QDB Compounds

QsarDB Repository

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)]

ValueSource or prediction
5.03

experimental value

3.8771

Tab2.Model_1: P. promelas LC50 (Training set)