O=[N+]([O-])c1cnc(Nc2ccc3c(c2)OC(F)(F)O3)nc1Nc1ccc2c(c1)OC(F)(F)O2
SMILES: O=[N+]([O-])c1cnc(Nc2ccc3c(c2)OC(F)(F)O3)nc1Nc1ccc2c(c1)OC(F)(F)O2

Molecular Processing

Molecular formula
C18H9F4N5O6
Molecular weight
467.29
Exact mass
467.0489
XLogP
4.52
TPSA
129.9
H-bond donors
2
H-bond acceptors
10
Rotatable bonds
5
Heavy atoms
33
Rings
5
Aromatic rings
3
Saturated rings
0
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
15
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
100.54

Supplementary Information

詳細情報を取得中…

23 件の反応に参加→

拡張検索

部分構造検索→類似構造検索→