Molecule

ID:117695

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₅NO₅
Molecular Mass
287.352
Exact Mass
287.17327291
Charge
0
InChI
InChI=1S/C14H25NO5/c1-5-18-12(16)10-19-11-6-8-15(9-7-11)13(17)20-14(2,3)4/h11H,5-10H2,1-4H3
InChIKey
BTANMNWDTQXBSP-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)COC1CCN(CC1)C(=O)OC(C)(C)C
Isomeric Smiles
C(=O)(N1CCC(CC1)OCC(=O)OCC)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.032186
LogD (pH = 7.4)
1.032186
Log P
1.032186
Molar Refractivity
73.7663
Polarizability
29.217115
Polar Surface Area
65.07
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
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References
Bioactivity
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