SMILES:
O=C(O)c1cc(O)cc(N2CCCC2=O)c1Molecular Processing
Molecular formula
C11H11NO4
Molecular weight
221.21
Exact mass
221.0688
XLogP
1.22
TPSA
77.84
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
56.65
Supplementary Information
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