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:1740
Name:2-(morpholin-4-yl)ethan-1-ol
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: 4-(2-Hydroxyethyl) morpholine
Labels:
CAS:622-40-2
InChi Code:InChI=1S/C6H13NO2/c8-4-1-7-2-5-9-6-3-7/h8H,1-6H2

Properties

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

ValueSource or prediction
1.69

experimental value

1.841

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

Links to External Resources