Molecule

ID:129781

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₂O₅
Molecular Mass
222.27868
Exact Mass
222.1467238
Charge
0
InChI
InChI=1S/C10H22O5/c1-11-3-5-13-7-9-15-10-8-14-6-4-12-2/h3-10H2,1-2H3
InChIKey
ZUHZGEOKBKGPSW-UHFFFAOYSA-N
Canonic Smiles
COCCOCCOCCOCCOC
Isomeric Smiles
COCCOCCOCCOCCOC
Calculated Properties
JChem
LogD (pH = 7.4)
-0.06
LogD (pH = 5.5)
-0.06
Log P
-0.06
Rotatable Bonds
12
H Donor
0
H Acceptors
5
Lipinski's Rule of Five
true
Acid pKa
-3.44
Polar Surface Area
46.15
Polarizability
26.18
Molar Refractivity
57.19
LOG S
0.34
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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