Molecule

ID:34932

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄O₅
Molecular Mass
238.23656
Exact Mass
238.08412355
Charge
0
InChI
InChI=1S/C12H14O5/c1-3-16-11(14)8-17-12-9(7-13)5-4-6-10(12)15-2/h4-7H,3,8H2,1-2H3
InChIKey
RGWBICWDTDHCGS-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)COc1c(OC)cccc1C=O
Isomeric Smiles
c1(OCC(=O)OCC)c(C=O)cccc1OC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.3510909
LogD (pH = 7.4)
1.3510909
Log P
1.3510909
Molar Refractivity
61.1707
Polarizability
23.607334
Polar Surface Area
61.83
Rotatable Bonds
7
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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