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: | 1754 | |
|---|---|---|
| Name: | 2-hydroxy-4,6-dimethoxybenzaldehyde | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 4,6-Dimethoxy-2-hydroxybenzaldehyde | |
| Labels: | ||
| CAS: | 708-76-9 | |
| InChi Code: | InChI=1S/C9H10O4/c1-12-6-3-8(11)7(5-10)9(4-6)13-2/h3-5,11H,1-2H3 |
Properties
M1.pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 4.83 |
experimental value |
| 4.0883 |
Tab2.Model_1: P. promelas LC50 (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID3022110 | US EPA CompTox Dashboard |