Molecule

ID:5975

General Information
Structure
MolImage
Molecular Formula
C₈H₁₈O₃
Molecular Mass
162.22672
Exact Mass
162.12559444
Charge
0
InChI
InChI=1S/C8H18O3/c1-3-9-5-7-11-8-6-10-4-2/h3-8H2,1-2H3
InChIKey
RRQYJINTUHWNHW-UHFFFAOYSA-N
Canonic Smiles
CCOCCOCCOCC
Isomeric Smiles
CCOCCOCCOCC
Calculated Properties
JChem
LogD (pH = 7.4)
0.74
LogD (pH = 5.5)
0.74
Log P
0.74
Rotatable Bonds
8
H Donor
0
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
-3.67
Polar Surface Area
27.69
Polarizability
19.75
Molar Refractivity
44.60
LOG S
-0.20
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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