COC(=O)c1cc([N+](=O)[O-])c(C(F)(F)F)cc1N
SMILES: COC(=O)c1cc([N+](=O)[O-])c(C(F)(F)F)cc1N

Molecular Processing

Molecular formula
C9H7F3N2O4
Molecular weight
264.16
Exact mass
264.0358
XLogP
1.98
TPSA
95.46
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
18
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
53.85

Supplementary Information

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