SMILES:
COCC(=O)NCc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=OMolecular Processing
Molecular formula
C17H17N3O6
Molecular weight
359.34
Exact mass
359.1117
XLogP
-0.65
TPSA
121.88
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
26
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.353
Molar refractivity
86.84
Supplementary Information
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