이름: 2-Phenylsulfonylbutyric acid
SMILES:
CCC(C(=O)O)S(=O)(=O)c1ccccc1Molecular Processing
Molecular formula
C10H12O4S
Molecular weight
228.27
Exact mass
228.0456
XLogP
1.32
TPSA
71.44
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
15
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
55.34
Supplementary Information
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