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: | 1959 | |
|---|---|---|
| Name: | 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononan-1-ol | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Hexadecafluoro-1-nonanol | |
| Labels: | ||
| CAS: | 376-18-1 | |
| InChi Code: | InChI=1S/C9H4F16O/c10-2(11)4(14,15)6(18,19)8(22,23)9(24,25)7(20,21)5(16,17)3(12,13)1-26/h2,26H,1H2 |
Properties
M14.pLD50: Acute oral toxicity in rat as log(1/LD50) [-log(mmol/kg)] i
| Value | Source or prediction |
|---|---|
| 1.992 |
experimental value |
| 1.6769 |
Tab2.Model_14: PFC oral rat LD50 (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID3059923 | US EPA CompTox Dashboard |