SMILES:
CN1CCN(c2cccc(Nc3n[nH]c(N)n3)c2)CC1Molecular Processing
Molecular formula
C13H19N7
Molecular weight
273.34
Exact mass
273.1702
XLogP
0.88
TPSA
86.1
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
20
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
80.23
Supplementary Information
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