SMILES:
CNc1ncc(C#Cc2ccccc2)cn1Molecular Processing
Molecular formula
C13H11N3
Molecular weight
209.25
Exact mass
209.0953
XLogP
1.92
TPSA
37.81
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
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
64
Supplementary Information
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