SMILES:
CC(C)(C)OC(=O)NC1C2C=CC(C2)C1C(=O)OMolecular Processing
Molecular formula
C13H19NO4
Molecular weight
253.3
Exact mass
253.1314
XLogP
1.79
TPSA
75.63
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
18
Rings
2
Aromatic rings
0
Saturated rings
1
Aliphatic rings
2
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.692
Molar refractivity
65.02
Supplementary Information
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