SMILES:
CS(=O)(=O)Nc1ccc(CN)cc1Molecular Processing
Molecular formula
C8H12N2O2S
Molecular weight
200.26
Exact mass
200.0619
XLogP
0.52
TPSA
72.19
H-bond donors
2
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
5
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
52.8
Supplementary Information
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