Name: Compound 7
SMILES:
O=[N+]([O-])c1cc(F)c2c(c1)CCO2Molecular Processing
Molecular formula
C8H6FNO3
Molecular weight
183.14
Exact mass
183.0332
XLogP
1.67
TPSA
52.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
13
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
42.25
Supplementary Information
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