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: | 1835 | |
|---|---|---|
| Name: | 2-chloro-5-nitrobenzaldehyde | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 2-Chloro-5-nitrobenzaldehyde The representation of nitro groups was fixed | |
| Labels: | ||
| CAS: | 6361-21-3 | |
| InChi Code: | InChI=1S/C7H4ClNO3/c8-7-2-1-6(9(11)12)3-5(7)4-10/h1-4H |
Properties
M1.pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 4.68 |
experimental value |
| 4.3092 |
Tab2.Model_1: P. promelas LC50 (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID8022240 | US EPA CompTox Dashboard |