이름: acid
SMILES:
CS(=O)(=O)CC1CCC(C(=O)O)CC1Molecular Processing
Molecular formula
C9H16O4S
Molecular weight
220.29
Exact mass
220.0769
XLogP
0.92
TPSA
71.44
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
14
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.889
Molar refractivity
52.79
Supplementary Information
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