Substance Information
In ZINC since |
Heavy atoms |
Benign functionality |
July 24th, 2004 |
29 |
Yes
|
Other Names:
1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1-methyl-3-(3-methyl-4-(4-((trifluoromethyl)thio)phenoxy)phenyl)-; 1-Methyl-3-(4-(p-((trifluoromethyl)thio)phenoxy)-m-tolyl)-s-triazine-2,4,6(1H,3H,5H)-trione; BAY i 9142; BAY i-9142; BAY-i 9142; C18H16F3N3O4S; LS-17
69004-03-1; D06187; Toltrazuril (USAN/INN)
BAY-VI-9142
BAYCOX
INN
MFCD00867201
N/A
QA-4096
Toltrazuril (BAN
USAN)
Download:
MOL2
SDF
SMILES
Flexibase
Physical Representations
Type
pH range
|
xlogP
|
Des A‑Pol
Apolar desolvation
(kcal/mol)
|
Des Pol
Polar desolvation
(kcal/mol)
|
H Don
H-bond donors
|
H Acc
H-bond acceptors
|
Chg
Net charge
|
tPSA
(Ų)
|
MWT
Molecular weight
(g/mol)
|
RB
Rotatable bonds
|
DL |
Ref
Reference (pH 7)
|
5.97 |
1.57 |
-7.86 |
1 |
7 |
0 |
86 |
425.388 |
5 |
↓
|
Vendor Notes
No pre-computed analogs available. Try a structural similarity search.