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_85 | |
|---|---|---|
| Name: | Trichloro-s-triazinetrione | |
| Description: | ||
| Labels: | ||
| CAS: | 87-90-1 | |
| InChi Code: | InChI=1S/C3Cl3N3O3/c4-7-1(10)8(5)3(12)9(6)2(7)11 |
Properties
pLC50: Quail dietary toxicity as log(1/LC50) [-log(mmol/L)]
| Value | Source or prediction |
|---|---|
| -1.4932 |
experimental value |
| -0.98738 |
Eq.3: Model for pesticides (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID2026523 | US EPA CompTox Dashboard |