C#CCC(NS(=O)(=O)c1ccc(C)cc1)C(=O)O
SMILES: C#CCC(NS(=O)(=O)c1ccc(C)cc1)C(=O)O

Molecular Processing

Molecular formula
C12H13NO4S
Molecular weight
267.31
Exact mass
267.0565
XLogP
0.75
TPSA
83.47
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
18
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
66.37

Supplementary Information

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