Aruoja, V.; Moosus, M.; Kahru, A.; Sihtmäe, M.; Maran, U. Measurement of baseline toxicity and QSAR analysis of 50 non-polar and 58 polar narcotic chemicals for the alga Pseudokirchneriella subcapitata. Chemosphere 2014, 96, 23-32
Compound
| ID: | 3 | |
|---|---|---|
| Name: | 1,2,3-trichloropropane | |
| Description: | ||
| Labels: | Training, Alkanes_halogenated, Nonpolar_narcotics | |
| CAS: | 96-18-4 | |
| InChi Code: | InChI=1S/C3H5Cl3/c4-1-3(6)2-5/h3H,1-2H2 |
Properties
pEC50: 72-h Algal toxicity as log(1/EC50) [log(L/mmol)]
| Value | Source or prediction |
|---|---|
| 0.27 |
experimental value |
| 0.19 |
Tab4a: Baseline model (Training) |
| 0.365 |
Tab4b: Main model (Training) |
| 0.466 |
Tab4c: Response surface model (Training) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID9021390 | US EPA CompTox Dashboard |