SMILES:
c1ncc2nnn(CC3CCCN3)c2n1Molecular Processing
Molecular formula
C9H12N6
Molecular weight
204.24
Exact mass
204.1123
XLogP
-0.03
TPSA
68.52
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
15
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.556
Molar refractivity
54.14
Supplementary Information
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