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: | 1184 | |
|---|---|---|
| Name: | 4-chlorobenzaldehyde | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 4-Chlorobenzaldehyde | |
| Labels: | ||
| CAS: | 104-88-1 | |
| InChi Code: | InChI=1S/C7H5ClO/c8-7-3-1-6(5-9)2-4-7/h1-5H |
Properties
M1.pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 4.8 |
experimental value |
| 3.7807 |
Tab2.Model_1: P. promelas LC50 (Training set) |
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| 0.010825461 |
experimental value |
| -0.3493 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID2021860 | US EPA CompTox Dashboard |