SMILES:
Cn1nnc(-c2ccc(C#CC3(O)CN4CCC3CC4)cc2)n1Molecular Processing
Molecular formula
C17H19N5O
Molecular weight
309.37
Exact mass
309.159
XLogP
0.69
TPSA
67.07
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
1
Heavy atoms
23
Rings
5
Aromatic rings
2
Saturated rings
3
Aliphatic rings
3
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.471
Molar refractivity
85.23
Supplementary Information
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