SMILES:
CNc1cccc(CS(C)(=O)=O)c1Molecular Processing
Molecular formula
C9H13NO2S
Molecular weight
199.27
Exact mass
199.0667
XLogP
1.27
TPSA
46.17
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
54.54
Supplementary Information
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