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: | 1682 | |
|---|---|---|
| Name: | 1-chloro-3-nitrobenzene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 1-Chloro-3-nitrobenzene The representation of nitro groups was fixed | |
| Labels: | ||
| CAS: | 121-73-3 | |
| InChi Code: | InChI=1S/C6H4ClNO2/c7-5-2-1-3-6(4-5)8(9)10/h1-4H |
Properties
M1.pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 3.92 |
experimental value |
| 4.2417 |
Tab2.Model_1: P. promelas LC50 (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID4021971 | US EPA CompTox Dashboard |