Molecule

ID:10876

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₅NO₅
Molecular Mass
289.2833
Exact Mass
289.09502259
Charge
0
InChI
InChI=1S/C15H15NO5/c1-20-11-6-4-10(5-7-11)12(9-14(17)18)16-15(19)13-3-2-8-21-13/h2-8,12H,9H2,1H3,(H,16,19)(H,17,18)
InChIKey
YVOZBHZIECSAFS-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)C(NC(=O)c1ccco1)CC(=O)O
Isomeric Smiles
C(=O)(NC(CC(=O)O)c1ccc(cc1)OC)c1occc1
Calculated Properties
JChem
Acid pKa
4.206819
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.13713992
LogD (pH = 7.4)
-1.5794313
Log P
1.4493738
Molar Refractivity
73.954
Polarizability
28.256393
Polar Surface Area
88.77
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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