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: | 1838 | |
|---|---|---|
| Name: | tris(prop-2-yn-1-yl)amine | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Tripropargylamine | |
| Labels: | ||
| CAS: | 6921-29-5 | |
| InChi Code: | InChI=1S/C9H9N/c1-4-7-10(8-5-2)9-6-3/h1-3H,7-9H2 |
Properties
M1.pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 2.65 |
experimental value |
| 2.309 |
Tab2.Model_1: P. promelas LC50 (Training set) |