SMILES:
OCC1OC(n2cnc3c(O)ncnc32)CC1OMolecular Processing
Molecular formula
C10H12N4O4
Molecular weight
252.23
Exact mass
252.0859
XLogP
-0.83
TPSA
113.52
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
2
Heavy atoms
18
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
58.61
Supplementary Information
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