SMILES:
Cc1nc(C#Cc2cccc(C#N)c2)c[nH]1Molecular Processing
Molecular formula
C13H9N3
Molecular weight
207.24
Exact mass
207.0796
XLogP
1.99
TPSA
52.47
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
16
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
0.077
Molar refractivity
60.46
Supplementary Information
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