SMILES:
CCSc1ccc(Cl)c(C#N)n1Molecular Processing
Molecular formula
C8H7ClN2S
Molecular weight
198.68
Exact mass
198.0018
XLogP
2.72
TPSA
36.68
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
12
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
0.25
Molar refractivity
50.36
Supplementary Information
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Involved in 2 reactions→