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: | 73 | |
|---|---|---|
| Name: | Cyclohexanone | |
| Description: | ||
| Labels: | Training, Akanes_cyclic_ketone, Nonpolar_narcotics | |
| CAS: | 108-94-1 | |
| InChi Code: | InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2 |
Properties
pEC50: 72-h Algal toxicity as log(1/EC50) [log(L/mmol)]
| Value | Source or prediction |
|---|---|
| -1.08 |
experimental value |
| -1.089 |
Tab4a: Baseline model (Training) |
| -0.808 |
Tab4b: Main model (Training) |
| -0.664 |
Tab4c: Response surface model (Training) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID6020359 | US EPA CompTox Dashboard |