Название: 9-oxo-3-thia-bicyclo[3.3.1]nonane-7-carboxylic acid ethyl ester
SMILES:
CCOC(=O)C1CC2CSCC(C1)C2=OMolecular Processing
Molecular formula
C11H16O3S
Molecular weight
228.31
Exact mass
228.082
XLogP
1.51
TPSA
43.37
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
15
Rings
2
Aromatic rings
0
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.818
Molar refractivity
58.67
Supplementary Information
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