SMILES:
O=[N+]([O-])c1cccc(-c2cnc3ccccc3n2)c1Molecular Processing
Molecular formula
C14H9N3O2
Molecular weight
251.25
Exact mass
251.0695
XLogP
3.21
TPSA
68.92
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
19
Rings
3
Aromatic rings
3
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
71.63
Supplementary Information
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