SMILES:
CCOC(=O)C(=O)CC(=O)c1ccc2ccccc2n1Molecular Processing
Molecular formula
C15H13NO4
Molecular weight
271.27
Exact mass
271.0845
XLogP
1.94
TPSA
73.33
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
20
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
72.33
Supplementary Information
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