SMILES:
Cc1nc(-c2ccccc2)nc(-c2cccc([N+](=O)[O-])c2)c1C=OMolecular Processing
Molecular formula
C18H13N3O3
Molecular weight
319.32
Exact mass
319.0957
XLogP
3.84
TPSA
85.99
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
24
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
0.056
Molar refractivity
89.68
Supplementary Information
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