SMILES:
CN1CCN(Cc2ccc(C(=O)O)cc2)CC1=OMolecular Processing
Molecular formula
C13H16N2O3
Molecular weight
248.28
Exact mass
248.1161
XLogP
0.66
TPSA
60.85
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
66.32
Supplementary Information
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