Molecule

ID:77083

General Information
Structure
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Molecular Formula
C₁₀H₂₂O₆
Molecular Mass
238.27808
Exact Mass
238.14163842
Charge
0
InChI
InChI=1S/C10H22O6/c11-1-3-13-5-7-15-9-10-16-8-6-14-4-2-12/h11-12H,1-10H2
InChIKey
JLFNLZLINWHATN-UHFFFAOYSA-N
Canonic Smiles
OCCOCCOCCOCCOCCO
Isomeric Smiles
O(CCOCCOCCO)CCOCCO
Calculated Properties
JChem
LogD (pH = 7.4)
-1.40
LogD (pH = 5.5)
-1.40
Log P
-1.40
Rotatable Bonds
13
H Donor
2
H Acceptors
6
Lipinski's Rule of Five
true
Acid pKa
14.82
Polar Surface Area
77.38
Polarizability
27.13
Molar Refractivity
58.73
LOG S
0.71
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
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Bioactivity
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