Nombre: (1S,2S,4S)-4-(2-chloro-benzenesulfonyl)-2-hydroxy-cyclopentanecarboxylic acid methyl ester
SMILES:
COC(=O)[C@H]1C[C@H](S(=O)(=O)c2ccccc2Cl)C[C@@H]1OMolecular Processing
Molecular formula
C13H15ClO5S
Molecular weight
318.78
Exact mass
318.0329
XLogP
1.43
TPSA
80.67
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
20
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
73.17
Supplementary Information
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