C[C@@H]1CC(=O)C[C@H](C)N1S(=O)(=O)c1ccc(Cl)cc1
名称: cis-1-(4-Chlorophenylsulfonyl)-2,6-dimethylpiperidin-4-one
SMILES: C[C@@H]1CC(=O)C[C@H](C)N1S(=O)(=O)c1ccc(Cl)cc1

Molecular Processing

Molecular formula
C13H16ClNO3S
Molecular weight
301.79
Exact mass
301.0539
XLogP
2.47
TPSA
54.45
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
19
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
73.64

Supplementary Information

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