CC1(C)CCS(=O)(=O)c2c(Cl)cc(C(=O)O)c(Cl)c21
SMILES: CC1(C)CCS(=O)(=O)c2c(Cl)cc(C(=O)O)c(Cl)c21

Molecular Processing

Molecular formula
C12H12Cl2O4S
Molecular weight
323.2
Exact mass
321.9833
XLogP
3.15
TPSA
71.44
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
19
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
73.12

Supplementary Information

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