SMILES:
COc1ccc(-c2cc[n+]([O-])c(C)c2)cc1Molecular Processing
Molecular formula
C13H13NO2
Molecular weight
215.25
Exact mass
215.0946
XLogP
2.3
TPSA
36.17
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
16
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.154
Molar refractivity
62.13
Supplementary Information
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