Molecule

ID:136383

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₃NO₅
Molecular Mass
273.32542
Exact Mass
273.15762284
Charge
0
InChI
InChI=1S/C13H23NO5/c1-5-18-10(15)6-13(8-17-9-13)7-14-11(16)19-12(2,3)4/h5-9H2,1-4H3,(H,14,16)
InChIKey
YRESHJZTCVBNPF-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CC1(COC1)CNC(=O)OC(C)(C)C
Isomeric Smiles
CCOC(=O)CC1(COC1)CNC(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
15.053316
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.7161327
LogD (pH = 7.4)
0.7161327
Log P
0.7161327
Molar Refractivity
68.7575
Polarizability
27.389286
Polar Surface Area
73.86
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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