Name: 1-(methylsulfonyl)pyrrolidine-2-carboxylic acid
SMILES:
CS(=O)(=O)N1CCCC1C(=O)OMolecular Processing
Molecular formula
C6H11NO4S
Molecular weight
193.22
Exact mass
193.0409
XLogP
-0.5
TPSA
74.68
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
12
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.833
Molar refractivity
42.21
Supplementary Information
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