SMILES:
CC(C)[C@H]1CCN([C@@H](CCc2ccccc2)C(=O)O)C1=OMolecular Processing
Molecular formula
C17H23NO3
Molecular weight
289.38
Exact mass
289.1678
XLogP
2.58
TPSA
57.61
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
6
Heavy atoms
21
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.529
Molar refractivity
80.84
Supplementary Information
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