SMILES:
N#Cc1ncc(Sc2ccccc2)nc1C#NMolecular Processing
Molecular formula
C12H6N4S
Molecular weight
238.28
Exact mass
238.0313
XLogP
2.37
TPSA
73.36
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
17
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
Molar refractivity
62.03
Supplementary Information
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