SMILES:
COc1ccc([N+](=O)[O-])c(C=O)c1Molecular Processing
Molecular formula
C8H7NO4
Molecular weight
181.15
Exact mass
181.0375
XLogP
1.42
TPSA
69.44
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
45.04
Supplementary Information
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