SMILES:
C#CCN1CCN(Cc2ccc3c(N)ncnc3c2)C(=O)C1Molecular Processing
Molecular formula
C16H17N5O
Molecular weight
295.35
Exact mass
295.1433
XLogP
0.49
TPSA
75.35
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
22
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.312
Molar refractivity
84.64
Supplementary Information
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