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: | 1954 | |
|---|---|---|
| Name: | tetradecafluorohexane | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: perflexane | |
| Labels: | ||
| CAS: | 355-42-0 | |
| InChi Code: | InChI=1S/C6F14/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)20 |
Properties
M14.pLD50: Acute oral toxicity in rat as log(1/LD50) [-log(mmol/kg)] i
| Value | Source or prediction |
|---|---|
| 1.83 |
experimental value |
| 1.9342 |
Tab2.Model_14: PFC oral rat LD50 (Training set) |
M16.logVP: Vapor pressure as log(VP) [log(mm Hg)]
| Value | Source or prediction |
|---|---|
| 2.338 |
experimental value |
| 1.6128 |
Tab2.Model_16: PFC vapor pressure (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID7046548 | US EPA CompTox Dashboard |