名称: γ-(4-benzyl-4-hydroxypiperidino)-2-aminobutyrophenone
SMILES:
NC(CCN1CCC(O)(Cc2ccccc2)CC1)C(=O)c1ccccc1Molecular Processing
Molecular formula
C22H28N2O2
Molecular weight
352.48
Exact mass
352.2151
XLogP
2.66
TPSA
66.56
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
26
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.409
Molar refractivity
104.13
Supplementary Information
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