SMILES:
O=Cc1nccs1Molecular Processing
Molecular formula
C4H3NOS
Molecular weight
113.14
Exact mass
112.9935
XLogP
0.96
TPSA
29.96
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
7
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0
Molar refractivity
27.5
Supplementary Information
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