Molecule

ID:107303

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₂O₄
Molecular Mass
230.30068
Exact Mass
230.15180918
Charge
0
InChI
InChI=1S/C12H22O4/c1-15-11(13)9-7-5-3-4-6-8-10-12(14)16-2/h3-10H2,1-2H3
InChIKey
ALOUNLDAKADEEB-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CCCCCCCCC(=O)OC
Isomeric Smiles
COC(=O)CCCCCCCCC(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.560717
LogD (pH = 7.4)
2.560717
Log P
2.560717
Molar Refractivity
60.6812
Polarizability
24.38656
Polar Surface Area
52.6
Rotatable Bonds
11
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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