Molecule
ID:108096
General Information
Molecular Formula
C₁₂H₂₆O
Molecular Mass
186.33424
Exact Mass
186.19836545
Charge
0
InChI
InChI=1S/C12H26O/c1-4-5-6-7-8-9-10-12(2,3)11-13/h13H,4-11H2,1-3H3
InChIKey
OSJLCOMCKUOKDD-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCC(CO)(C)C
Isomeric Smiles
CCCCCCCCC(C)(C)CO
Calculated Properties
JChem
Acid pKa
17.99973
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.215708
LogD (pH = 7.4)
4.215708
Log P
4.215708
Molar Refractivity
58.6106
Polarizability
23.4756
Polar Surface Area
20.23
Rotatable Bonds
8
Lipinski's Rule of Five
true
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
No Data Available
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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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