Name: product
SMILES:
CC(C)(C)c1cccc(S(=O)(=O)Cl)n1Molecular Processing
Molecular formula
C9H12ClNO2S
Molecular weight
233.72
Exact mass
233.0277
XLogP
2.31
TPSA
47.03
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
55.98
Supplementary Information
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