SMILES:
Nc1ncc2c(n1)CCC(=O)C2Molecular Processing
Molecular formula
C8H9N3O
Molecular weight
163.18
Exact mass
163.0746
XLogP
0.12
TPSA
68.87
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
0
Heavy atoms
12
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
43.48
Supplementary Information
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