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: | 1961 | |
|---|---|---|
| Name: | 2,2,3,3,4,4-hexafluoropentane-1,5-diol | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 2,2,3,3,4,4-Hexafluoro-1,5-pentanediol | |
| Labels: | ||
| CAS: | 376-90-9 | |
| InChi Code: | InChI=1S/C5H6F6O2/c6-3(7,1-12)5(10,11)4(8,9)2-13/h12-13H,1-2H2 |
Properties
M14.pLD50: Acute oral toxicity in rat as log(1/LD50) [-log(mmol/kg)] i
| Value | Source or prediction |
|---|---|
| 2.076 |
experimental value |
| 2.3907 |
Tab2.Model_14: PFC oral rat LD50 (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID3059927 | US EPA CompTox Dashboard |