SMILES:
Cc1cc(C)c2sc(N=C=C(C#N)C#N)nc2c1Molecular Processing
Molecular formula
C13H8N4S
Molecular weight
252.3
Exact mass
252.047
XLogP
3.19
TPSA
72.83
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
1
Heavy atoms
18
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.154
Molar refractivity
70.93
Supplementary Information
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