SMILES:
CCOC(=O)N1C=CC(=O)CC1Molecular Processing
Molecular formula
C8H11NO3
Molecular weight
169.18
Exact mass
169.0739
XLogP
0.93
TPSA
46.61
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
12
Rings
1
Aromatic rings
0
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
42.49
Supplementary Information
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