SMILES:
O=C(Cl)Cc1ccc(CS(=O)(=O)O)cc1Molecular Processing
Molecular formula
C9H9ClO4S
Molecular weight
248.69
Exact mass
247.991
XLogP
1.38
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
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
56.26
Supplementary Information
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