Cc1cc(C#Cc2cn(CC3CC3)c(C)n2)ccn1
SMILES: Cc1cc(C#Cc2cn(CC3CC3)c(C)n2)ccn1

Molecular Processing

Molecular formula
C16H17N3
Molecular weight
251.33
Exact mass
251.1422
XLogP
2.7
TPSA
30.71
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
19
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
74.64

Supplementary Information

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