SMILES:
COCc1cccc([N+](=O)[O-])c1Molecular Processing
Molecular formula
C8H9NO3
Molecular weight
167.16
Exact mass
167.0582
XLogP
1.74
TPSA
52.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
43.81
Supplementary Information
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