SMILES:
COC(=O)CCc1c(C)[nH]c(C(=O)O)c1CMolecular Processing
Molecular formula
C11H15NO4
Molecular weight
225.24
Exact mass
225.1001
XLogP
1.44
TPSA
79.39
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
16
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
57.56
Supplementary Information
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