O=[N+]([O-])c1cc(CN2CCC(O)C2)cc(C(F)(F)F)c1
SMILES: O=[N+]([O-])c1cc(CN2CCC(O)C2)cc(C(F)(F)F)c1

Molecular Processing

Molecular formula
C12H13F3N2O3
Molecular weight
290.24
Exact mass
290.0878
XLogP
2.18
TPSA
66.61
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
20
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
64

Supplementary Information

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