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: | 1812 | |
|---|---|---|
| Name: | 3-bromo-4-hydroxy-5-methoxybenzaldehyde | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 5-Bromovanillin | |
| Labels: | ||
| CAS: | 2973-76-4 | |
| InChi Code: | InChI=1S/C8H7BrO3/c1-12-7-3-5(4-10)2-6(9)8(7)11/h2-4,11H,1H3 |
Properties
M1.pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 3.59 |
experimental value |
| 4.5258 |
Tab2.Model_1: P. promelas LC50 (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID7022203 | US EPA CompTox Dashboard |