SMILES:
CCOC(=O)c1ccc(-c2cccc[n+]2[O-])cc1Molecular Processing
Molecular formula
C14H13NO3
Molecular weight
243.26
Exact mass
243.0895
XLogP
2.16
TPSA
53.24
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
18
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
66.79
Supplementary Information
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