SMILES:
CCOC(=O)c1cc(C#N)cc2ccsc12Molecular Processing
Molecular formula
C12H9NO2S
Molecular weight
231.28
Exact mass
231.0354
XLogP
2.95
TPSA
50.09
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
16
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
62.5
Supplementary Information
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