이름: 2-nitrobenzoic acid
SMILES:
O=C(O)c1ccccc1[N+](=O)[O-]Molecular Processing
Molecular formula
C7H5NO4
Molecular weight
167.12
Exact mass
167.0219
XLogP
1.29
TPSA
80.44
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
12
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
Molar refractivity
40.06
Supplementary Information
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