SMILES:
Cc1nc(-c2ccc(CN)cc2)cs1Molecular Processing
Molecular formula
C11H12N2S
Molecular weight
204.3
Exact mass
204.0721
XLogP
2.58
TPSA
38.91
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
14
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.182
Molar refractivity
60.18
Supplementary Information
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