SMILES:
CC(NCc1ccccc1)c1ccccc1.O=C1CCC2C1[C@H]2C(=O)OMolecular Processing
Molecular formula
C22H25NO3
Molecular weight
351.45
Exact mass
351.1834
XLogP
3.83
TPSA
66.4
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
26
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
4
Undefined stereo
3
Formal charge
0
Heteroatoms
4
Covalent units
2
Fraction Csp3
0.364
Molar refractivity
100.49
Supplementary Information
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