SMILES:
Oc1ccc(-n2cnnn2)nc1Molecular Processing
Molecular formula
C6H5N5O
Molecular weight
163.14
Exact mass
163.0494
XLogP
-0.24
TPSA
76.72
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
1
Heavy atoms
12
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0
Molar refractivity
38.61
Supplementary Information
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