名称: trans-4-(4-chlorophenoxy)-1-methyl-3-phenylpiperidine
SMILES:
CN1CC[C@@H](Oc2ccc(Cl)cc2)[C@H](c2ccccc2)C1Molecular Processing
Molecular formula
C18H20ClNO
Molecular weight
301.82
Exact mass
301.1233
XLogP
4.21
TPSA
12.47
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
21
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
87.17
Supplementary Information
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