SMILES:
Nc1ncnc2c1ncn2C1CCC2CC(=O)NC1C2Molecular Processing
Molecular formula
C13H16N6O
Molecular weight
272.31
Exact mass
272.1386
XLogP
0.64
TPSA
98.72
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
1
Heavy atoms
20
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.538
Molar refractivity
72.66
Supplementary Information
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