SMILES:
Cc1ccc(S(=O)(=O)N2CCSCC2C(=O)O)cc1Molecular Processing
Molecular formula
C12H15NO4S2
Molecular weight
301.39
Exact mass
301.0442
XLogP
1.19
TPSA
74.68
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
19
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
73.82
Supplementary Information
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