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: | 1834 | |
|---|---|---|
| Name: | 1,3,5-trichloro-2,4-dinitrobenzene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 1,3,5-Trichloro-2,4-dinitrobenzene The representation of nitro groups was fixed | |
| Labels: | ||
| CAS: | 6284-83-9 | |
| InChi Code: | InChI=1S/C6HCl3N2O4/c7-2-1-3(8)6(11(14)15)4(9)5(2)10(12)13/h1H |
Properties
M1.pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 6.09 |
experimental value |
| 5.7169 |
Tab2.Model_1: P. promelas LC50 (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID9022239 | US EPA CompTox Dashboard |