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: | 1766 | |
|---|---|---|
| Name: | 3-bromothiophene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 3-Bromothiophene | |
| Labels: | ||
| CAS: | 872-31-1 | |
| InChi Code: | InChI=1S/C4H3BrS/c5-4-1-2-6-3-4/h1-3H |
Properties
M1.pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 4.42 |
experimental value |
| 4.1809 |
Tab2.Model_1: P. promelas LC50 (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID2022129 | US EPA CompTox Dashboard |