SMILES:
COc1ccc(NC(=O)CC2CO2)cc1Molecular Processing
Molecular formula
C11H13NO3
Molecular weight
207.23
Exact mass
207.0895
XLogP
1.42
TPSA
50.86
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
15
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
55.98
Supplementary Information
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