SMILES:
O=C(O)c1cccc2oc(Nc3ccncc3)nc12Molecular Processing
Molecular formula
C13H9N3O3
Molecular weight
255.23
Exact mass
255.0644
XLogP
2.66
TPSA
88.25
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
19
Rings
3
Aromatic rings
3
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
68.49
Supplementary Information
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