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:1693
Name:(2R,6S)-2,6-dimethylmorpholine
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: 2,6-Dimethylmorpholine
Labels:
CAS:141-91-3
InChi Code:InChI=1S/C6H13NO/c1-5-3-7-4-6(2)8-5/h5-7H,3-4H2,1-2H3/t5-,6+

Properties

M1.pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [-log(mol/L)]

ValueSource or prediction
2.47

experimental value

1.9084

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