Molecule

ID:1962

General Information
Structure
MolImage
Molecular Formula
C₆H₁₄O₂
Molecular Mass
118.17416
Exact Mass
118.09937969
Charge
0
InChI
InChI=1S/C6H14O2/c7-5-3-1-2-4-6-8/h7-8H,1-6H2
InChIKey
XXMIOPMDWAUFGU-UHFFFAOYSA-N
Canonic Smiles
OCCCCCCO
Isomeric Smiles
OCCCCCCO
Calculated Properties
JChem
LogD (pH = 7.4)
0.26
LogD (pH = 5.5)
0.26
Log P
0.26
Rotatable Bonds
5
H Donor
2
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
-1.69
Polar Surface Area
40.46
Polarizability
14.26
Molar Refractivity
33.27
LOG S
0.35
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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