Molecule

ID:90512

General Information
Structure
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/h12H,2-11H2,1H3
InChIKey
HFJRKMMYBMWEAD-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCC=O
Isomeric Smiles
O=CCCCCCCCCCCC
Calculated Properties
JChem
LogD (pH = 7.4)
4.32
LogD (pH = 5.5)
4.32
Log P
4.32
Rotatable Bonds
10
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
17.93
Polar Surface Area
17.07
Polarizability
24.86
Molar Refractivity
57.75
LOG S
-4.42
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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