Molecule

ID:16163

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃NO₄
Molecular Mass
223.22522
Exact Mass
223.0844579
Charge
0
InChI
InChI=1S/C11H13NO4/c1-2-15-10-5-8(6-13)3-4-9(10)16-7-11(12)14/h3-6H,2,7H2,1H3,(H2,12,14)
InChIKey
SVAIFXRICURVNE-UHFFFAOYSA-N
Canonic Smiles
CCOc1cc(C=O)ccc1OCC(=O)N
Isomeric Smiles
c1(c(OCC(=O)N)ccc(c1)C=O)OCC
Calculated Properties
JChem
Acid pKa
15.017574
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.39825428
LogD (pH = 7.4)
0.39825428
Log P
0.39825428
Molar Refractivity
58.2238
Polarizability
22.19849
Polar Surface Area
78.62
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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