Molecule

ID:80412

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₂O₆
Molecular Mass
274.31018
Exact Mass
274.14163842
Charge
0
InChI
InChI=1S/C13H22O6/c1-13(2,8-11(15)18-4)9(12(16)19-5)6-7-10(14)17-3/h9H,6-8H2,1-5H3
InChIKey
QLGFGDPJZPHUNY-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CCC(C(CC(=O)OC)(C)C)C(=O)OC
Isomeric Smiles
O=C(C(C(CC(=O)OC)(C)C)CCC(=O)OC)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.1827159
LogD (pH = 7.4)
1.1827159
Log P
1.1827159
Molar Refractivity
66.9109
Polarizability
27.073582
Polar Surface Area
78.9
Rotatable Bonds
10
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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