SMILES:
Cc1ccccc1N1CCC(C(=O)O)C1=OMolecular Processing
Molecular formula
C12H13NO3
Molecular weight
219.24
Exact mass
219.0895
XLogP
1.43
TPSA
57.61
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
16
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
0.333
Molar refractivity
59.27
Supplementary Information
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