Molecule

ID:136386

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₇NO₅
Molecular Mass
279.28848
Exact Mass
279.11067265
Charge
0
InChI
InChI=1S/C14H17NO5/c1-18-13(16)12(11-8-19-9-11)15-14(17)20-7-10-5-3-2-4-6-10/h2-6,11-12H,7-9H2,1H3,(H,15,17)
InChIKey
CPWNUOJLLPXDNI-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(C1COC1)NC(=O)OCc1ccccc1
Isomeric Smiles
COC(=O)C(C1COC1)NC(=O)OCc1ccccc1
Calculated Properties
JChem
Acid pKa
13.147042
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.208271
LogD (pH = 7.4)
1.2082703
Log P
1.208271
Molar Refractivity
69.8297
Polarizability
27.75229
Polar Surface Area
73.86
Rotatable Bonds
7
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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