SMILES:
O=C(O)Cc1ccccc1[N+](=O)[O-]Molecular Processing
Molecular formula
C8H7NO4
Molecular weight
181.15
Exact mass
181.0375
XLogP
1.22
TPSA
80.44
H-bond donors
1
H-bond acceptors
3
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
44.44
Supplementary Information
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