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: | 1958 | |
|---|---|---|
| Name: | nonafluorobutane-1-sulfonic acid | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: nonafluorobutane-1-sulfonic acid | |
| Labels: | ||
| CAS: | 375-73-5 | |
| InChi Code: | InChI=1S/C4HF9O3S/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16/h(H,14,15,16) |
Properties
M14.pLD50: Acute oral toxicity in rat as log(1/LD50) [-log(mmol/kg)] i
| Value | Source or prediction |
|---|---|
| 2.844 |
experimental value |
| 3.1115 |
Tab2.Model_14: PFC oral rat LD50 (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID5030030 | US EPA CompTox Dashboard |