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: | 1863 | |
|---|---|---|
| Name: | (2R)-2-(bromomethyl)oxane | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 2-(Bromomethyl)-tetrahydro-2h-pyran | |
| Labels: | ||
| CAS: | 34723-82-5 | |
| InChi Code: | InChI=1S/C6H11BrO/c7-5-6-3-1-2-4-8-6/h6H,1-5H2/t6-/m1/s1 |
Properties
M1.pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 2.94 |
experimental value |
| 3.3732 |
Tab2.Model_1: P. promelas LC50 (Training set) |