CCOC(=O)C1CC2CC(=O)CC(C1)N2S(=O)(=O)c1ccc(Cl)cc1
名称: 9-(4-Chloro-benzenesulfonyl)-7-oxo-9-aza-bicyclo[3.3.1]nonane-3-carboxylic acid ethyl ester
SMILES: CCOC(=O)C1CC2CC(=O)CC(C1)N2S(=O)(=O)c1ccc(Cl)cc1

Molecular Processing

Molecular formula
C17H20ClNO5S
Molecular weight
385.87
Exact mass
385.0751
XLogP
2.4
TPSA
80.75
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
25
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.529
Molar refractivity
91.65

Supplementary Information

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