名称: trans-4-(4-chlorophenoxy)-1-ethoxycarbonyl-3-phenylpiperidine
SMILES:
CCOC(=O)N1CC[C@@H](Oc2ccc(Cl)cc2)[C@H](c2ccccc2)C1Molecular Processing
Molecular formula
C20H22ClNO3
Molecular weight
359.85
Exact mass
359.1288
XLogP
4.73
TPSA
38.77
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
25
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.35
Molar refractivity
98.26
Supplementary Information
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