SMILES:
CC(=O)Oc1cc2cc(C(=O)O)c(=O)n(C)c2cc1OC(C)=OMolecular Processing
Molecular formula
C15H13NO7
Molecular weight
319.27
Exact mass
319.0692
XLogP
1.09
TPSA
111.9
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
23
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
78.77
Supplementary Information
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