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: | 1678 | |
|---|---|---|
| Name: | 2-[(2-hydroxyethyl)(phenyl)amino]ethan-1-ol | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: N-Phenyldiethanolamine | |
| Labels: | ||
| CAS: | 120-07-0 | |
| InChi Code: | InChI=1S/C10H15NO2/c12-8-6-11(7-9-13)10-4-2-1-3-5-10/h1-5,12-13H,6-9H2 |
Properties
M1.pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 2.39 |
experimental value |
| 3.4499 |
Tab2.Model_1: P. promelas LC50 (Training set) |