SMILES:
Cc1cc(C#Cc2cn(CC#N)c(C)n2)ccn1Molecular Processing
Molecular formula
C14H12N4
Molecular weight
236.28
Exact mass
236.1062
XLogP
1.82
TPSA
54.5
H-bond donors
0
H-bond acceptors
3
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
4
Covalent units
1
Fraction Csp3
0.214
Molar refractivity
67.53
Supplementary Information
Obteniendo detalles…
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