SMILES:
CC(C)Cc1nc2cc(CN)ccc2s1Molecular Processing
Molecular formula
C12H16N2S
Molecular weight
220.34
Exact mass
220.1034
XLogP
2.95
TPSA
38.91
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
15
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
0.417
Molar refractivity
66.05
Supplementary Information
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