O=[N+]([O-])c1cc2n(n1)CCN(CC(F)F)C2
名称: 135a
SMILES: O=[N+]([O-])c1cc2n(n1)CCN(CC(F)F)C2

Molecular Processing

Molecular formula
C8H10F2N4O2
Molecular weight
232.19
Exact mass
232.0772
XLogP
0.87
TPSA
64.2
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.625
Molar refractivity
50.16

Supplementary Information

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