Molecule

ID:85655

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₄O₄
Molecular Mass
244.32726
Exact Mass
244.16745925
Charge
0
InChI
InChI=1S/C13H24O4/c1-6-16-11(14)13(5,9-8-10(3)4)12(15)17-7-2/h10H,6-9H2,1-5H3
InChIKey
LFMBZEGLMSBWHG-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(C(=O)OCC)(CCC(C)C)C
Isomeric Smiles
O=C(C(C(=O)OCC)(CCC(C)C)C)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.3940125
LogD (pH = 7.4)
3.3940125
Log P
3.3940125
Molar Refractivity
65.4503
Polarizability
26.221226
Polar Surface Area
52.6
Rotatable Bonds
9
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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