Molecule

ID:53848

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅NO₄
Molecular Mass
261.2732
Exact Mass
261.10010797
Charge
0
InChI
InChI=1S/C14H15NO4/c1-2-19-14(18)11-9-15(13(17)12(11)16)8-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3
InChIKey
FQMSSTZJKSWSMP-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1CN(C(=O)C1=O)Cc1ccccc1
Isomeric Smiles
C1(=O)C(CN(C1=O)Cc1ccccc1)C(=O)OCC
Calculated Properties
JChem
Acid pKa
5.616521
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.3624485
LogD (pH = 7.4)
-0.0128386915
Log P
1.6064793
Molar Refractivity
68.1676
Polarizability
26.413628
Polar Surface Area
63.68
Rotatable Bonds
5
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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