Molecule

ID:110005

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₇NO₅
Molecular Mass
279.28848
Exact Mass
279.11067265
Charge
0
InChI
InChI=1S/C14H17NO5/c1-3-19-13(17)11(14(18)20-4-2)15-12(16)10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3,(H,15,16)
InChIKey
NMSZTQWZINJIMY-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(C(=O)OCC)NC(=O)c1ccccc1
Isomeric Smiles
CCOC(=O)C(NC(=O)c1ccccc1)C(=O)OCC
Calculated Properties
JChem
Acid pKa
10.59561
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.9919307
LogD (pH = 7.4)
1.9916577
Log P
1.5252675
Molar Refractivity
71.1332
Polarizability
27.652512
Polar Surface Area
81.7
Rotatable Bonds
8
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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