SMILES:
CCN(CC)C(=O)CN(CCC#N)c1cc(C)nc(-n2ccnc2)n1Molecular Processing
Molecular formula
C17H23N7O
Molecular weight
341.42
Exact mass
341.1964
XLogP
1.56
TPSA
90.94
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
25
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.471
Molar refractivity
94.26
Supplementary Information
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