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: | 1626 | |
|---|---|---|
| Name: | (2S)-2,3-dibromopropan-1-ol | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 2,3-Dibromopropanol | |
| Labels: | ||
| CAS: | 96-13-9 | |
| InChi Code: | InChI=1S/C3H6Br2O/c4-1-3(5)2-6/h3,6H,1-2H2/t3-/m1/s1 |
Properties
M1.pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 3.49 |
experimental value |
| 3.4432 |
Tab2.Model_1: P. promelas LC50 (Training set) |