Molecule

ID:136837

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₄O
Molecular Mass
184.31836
Exact Mass
184.18271539
Charge
0
InChI
InChI=1S/C12H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h5-6,13H,2-4,7-12H2,1H3/b6-5-
InChIKey
WWDOVTHLTQFGOZ-WAYWQWQTSA-N
Canonic Smiles
CCCC/C=C\CCCCCCO
Isomeric Smiles
CCCC/C=C\CCCCCCO
Calculated Properties
JChem
Acid pKa
16.843943
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.9999497
LogD (pH = 7.4)
3.9999497
Log P
3.9999497
Molar Refractivity
60.0595
Polarizability
23.241335
Polar Surface Area
20.23
Rotatable Bonds
9
Lipinski's Rule of Five
true
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
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References
Bioactivity
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