CSc1ccc(NC(C#N)c2ccc(C)cc2)cc1
SMILES: CSc1ccc(NC(C#N)c2ccc(C)cc2)cc1

Molecular Processing

Molecular formula
C16H16N2S
Molecular weight
268.38
Exact mass
268.1034
XLogP
4.39
TPSA
35.82
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
19
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.188
Molar refractivity
81.38

Supplementary Information

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