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: | 1871 | |
|---|---|---|
| Name: | 3-(3,4-dichlorophenoxy)benzaldehyde | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 3-(3,4-Dichlorophenoxy)benzaldehyde | |
| Labels: | ||
| CAS: | 79124-76-8 | |
| InChi Code: | InChI=1S/C13H8Cl2O2/c14-12-5-4-11(7-13(12)15)17-10-3-1-2-9(6-10)8-16/h1-8H |
Properties
M1.pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 5.95 |
experimental value |
| 5.608 |
Tab2.Model_1: P. promelas LC50 (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID0022303 | US EPA CompTox Dashboard |