Molecule

ID:110004

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₄O
Molecular Mass
184.31836
Exact Mass
184.18271539
Charge
0
InChI
InChI=1S/C12H24O/c1-3-5-6-7-8-9-11-12(13)10-4-2/h3-11H2,1-2H3
InChIKey
AVQSOIZWTINZLU-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCC(=O)CCC
Isomeric Smiles
CCCCCCCCC(=O)CCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.6193323
LogD (pH = 7.4)
4.6193323
Log P
4.6193323
Molar Refractivity
57.6556
Polarizability
22.924746
Polar Surface Area
17.07
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
References
Bioactivity
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