Substance Information
In ZINC since |
Heavy atoms |
Benign functionality |
November 15th, 2005 |
21 |
No
|
Other Names:
arol
1,3-Indandione, 2-(alpha,alpha,alpha-trifluoro-p-tolyl)-; 1,3-Indandione, 2-(p-(trifluoromethyl)phenyl)-; 2-(alpha,alpha,alpha-Trifluoro-p-tolyl)indan-1,3-dione; 2-(p-(Trifluoromethyl)phenyl)-1,3-indandi0NE; B.S. 7617-D; BRN 1888302; Fluindarol; Fluindaro
Fluindarol (INN)
MFCD00869120
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)
|
4.44 |
9.17 |
-38.64 |
0 |
2 |
-1 |
40 |
289.232 |
2 |
↓
|
Mid
Mid (pH 6-8)
|
3.76 |
5.48 |
-13.58 |
0 |
2 |
0 |
34 |
290.24 |
2 |
↓
|
Vendor Notes
No pre-computed analogs available. Try a structural similarity search.