Molecule
ID:84483
General Information
Molecular Formula
C₁₁H₁₅NO₄
Molecular Mass
225.2411
Exact Mass
225.10010797
Charge
0
InChI
InChI=1S/C11H15NO4/c1-3-15-10(13)9(11(14)16-4-2)12-7-5-6-8-12/h5-9H,3-4H2,1-2H3
InChIKey
DUAOPKFJIPCUNK-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(n1cccc1)C(=O)OCC
Isomeric Smiles
n1(C(C(=O)OCC)C(=O)OCC)cccc1
Calculated Properties
JChem
Acid pKa
3.7527761
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.016843699
LogD (pH = 7.4)
-1.2674533
Log P
1.7545114
Molar Refractivity
56.8136
Polarizability
22.507593
Polar Surface Area
57.53
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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