O=[N+]([O-])c1cc(F)c(NC(CO)c2ccc(F)cc2)c(F)c1Nc1cc(C2CC2)[nH]n1
SMILES: O=[N+]([O-])c1cc(F)c(NC(CO)c2ccc(F)cc2)c(F)c1Nc1cc(C2CC2)[nH]n1

Molecular Processing

Molecular formula
C20H18F3N5O3
Molecular weight
433.39
Exact mass
433.1362
XLogP
4.5
TPSA
116.11
H-bond donors
4
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
31
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
106.71

Supplementary Information

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