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: | 1967 | |
|---|---|---|
| Name: | 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoic acid | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Dodecafluoroheptanoic acid | |
| Labels: | ||
| CAS: | 1546-95-8 | |
| InChi Code: | InChI=1S/C7H2F12O2/c8-1(9)3(10,11)5(14,15)7(18,19)6(16,17)4(12,13)2(20)21/h1H,(H,20,21) |
Properties
M14.pLD50: Acute oral toxicity in rat as log(1/LD50) [-log(mmol/kg)] i
| Value | Source or prediction |
|---|---|
| 2.381 |
experimental value |
| 2.7325 |
Tab2.Model_14: PFC oral rat LD50 (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID70165670 | US EPA CompTox Dashboard |