SMILES:
O=C(O)Cc1ccc([N+](=O)[O-])c(O)c1Molecular Processing
Molecular formula
C8H7NO5
Molecular weight
197.15
Exact mass
197.0324
XLogP
0.93
TPSA
100.67
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
46.1
Supplementary Information
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