SMILES:
Cc1cc(C#Cc2cn(Cc3ccccn3)c(C)n2)ccn1Molecular Processing
Molecular formula
C18H16N4
Molecular weight
288.35
Exact mass
288.1375
XLogP
2.74
TPSA
43.6
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
22
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
85.26
Supplementary Information
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