COC(=O)c1ccc(C=Nc2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])c1
SMILES: COC(=O)c1ccc(C=Nc2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])c1

Molecular Processing

Molecular formula
C16H11F3N2O4
Molecular weight
352.27
Exact mass
352.0671
XLogP
4.15
TPSA
81.8
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
25
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
83.13

Supplementary Information

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