SMILES:
CCCC(NC(=O)OCc1ccccc1)C(=O)OMolecular Processing
Molecular formula
C13H17NO4
Molecular weight
251.28
Exact mass
251.1158
XLogP
2.17
TPSA
75.63
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
18
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
66.09
Supplementary Information
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