SMILES:
O=C(O)c1cnc(-c2ccccn2)nc1Molecular Processing
Molecular formula
C10H7N3O2
Molecular weight
201.19
Exact mass
201.0538
XLogP
1.24
TPSA
75.97
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
15
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0
Molar refractivity
52.22
Supplementary Information
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