SMILES:
CC(=O)OCc1cc2c3ccccc3[nH]c(=O)n2n1Molecular Processing
Molecular formula
C13H11N3O3
Molecular weight
257.25
Exact mass
257.08
XLogP
1.24
TPSA
76.46
H-bond donors
1
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
6
Covalent units
1
Fraction Csp3
0.154
Molar refractivity
68.79
Supplementary Information
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