Molecule

ID:128486

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₆O₂
Molecular Mass
226.35504
Exact Mass
226.19328007
Charge
0
InChI
InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h5-6H,2-4,7-13H2,1H3,(H,15,16)/b6-5-
InChIKey
YWWVWXASSLXJHU-WAYWQWQTSA-N
Canonic Smiles
CCCC/C=C\CCCCCCCC(=O)O
Isomeric Smiles
O=C(O)CCCCCCC/C=C\CCCC
Calculated Properties
JChem
LogD (pH = 7.4)
2.62
LogD (pH = 5.5)
4.38
Log P
5.01
Rotatable Bonds
11
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
false
Acid pKa
4.99
Polar Surface Area
37.30
Polarizability
28.77
Molar Refractivity
69.00
LOG S
-5.38
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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