Schultz, T.W.; Carlson, R.E.; Cronin, M.T.D.; Hermens, J.L.M.; Johnson, R.; O’Brien, P.J.; Roberts, D.W.; Siraki, A.; Wallace, K.B.; Veith, G.D. A conceptual framework for predicting the toxicity of reactive chemicals: modeling soft electrophilicity. SAR QSAR Environ. Res. 2006, 17, 413–428.
Compound
| ID: | 19 | |
|---|---|---|
| Name: | 3-Methyl-3-pentene-2-one | |
| Description: | ||
| Labels: | ||
| CAS: | 565-62-8 | |
| InChi Code: | InChI=1S/C6H10O/c1-4-5(2)6(3)7/h4H,1-3H3/b5-4- |
Properties
pIGC50: 40-h Tetrahymena toxicity as log(1/IGC50)
| Value | Source or prediction |
|---|---|
| -0.3424226808 |
experimental value |
| -0.3744454238 |
Tbl.2: Michael acceptors' acute aquatic toxicity (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID4041490 | US EPA CompTox Dashboard |