Nc1nc(NC(=O)CCCC(=O)O)ccc1N=Nc1cccnc1
SMILES: Nc1nc(NC(=O)CCCC(=O)O)ccc1N=Nc1cccnc1

Molecular Processing

Molecular formula
C15H16N6O3
Molecular weight
328.33
Exact mass
328.1284
XLogP
2.67
TPSA
142.92
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
24
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
87.18

Supplementary Information

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