SMILES:
Cc1cc(CN)ccc1NS(C)(=O)=OMolecular Processing
Molecular formula
C9H14N2O2S
Molecular weight
214.29
Exact mass
214.0776
XLogP
0.83
TPSA
72.19
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
3
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
0.333
Molar refractivity
57.54
Supplementary Information
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