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: | 1973 | |
|---|---|---|
| Name: | 4-(1,1,2,2-tetrafluoroethoxy)benzene-1,3-diamine | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 4-(1,1,2,2-tetrafluoroethoxy)benzene-1,3-diamine | |
| Labels: | ||
| CAS: | 61988-37-2 | |
| InChi Code: | InChI=1S/C8H8F4N2O/c9-7(10)8(11,12)15-6-2-1-4(13)3-5(6)14/h1-3,7H,13-14H2 |
Properties
M14.pLD50: Acute oral toxicity in rat as log(1/LD50) [-log(mmol/kg)] i
| Value | Source or prediction |
|---|---|
| 2.321 |
experimental value |
| 1.63 |
Tab2.Model_14: PFC oral rat LD50 (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID90211022 | US EPA CompTox Dashboard |