Toropov, A. A.; Benfenati, E. QSAR models of quail dietary toxicity based on the graph of atomic orbitals. Bioorg. Med. Chem. Lett. 2006, 16, 1941–1943.
Compound
| ID: | Tr_15 | |
|---|---|---|
| Name: | 1,2-Dibromo-2,4-dicyanobutane | |
| Description: | Name in the article was: Dibromodicyanobutane | |
| Labels: | ||
| CAS: | 35691-65-7 | |
| InChi Code: | InChI=1S/C6H6Br2N2/c7-4-6(8,5-10)2-1-3-9/h1-2,4H2 |
Properties
pLC50: Quail dietary toxicity as log(1/LC50) [-log(mmol/L)]
| Value | Source or prediction |
|---|---|
| -1.1818 |
experimental value |
| -1.09025 |
Eq.3: Model for pesticides (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID3024944 | US EPA CompTox Dashboard |