Molecule

ID:104387

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)
InChIKey
YWWVWXASSLXJHU-UHFFFAOYSA-N
Canonic Smiles
CCCC/C=C/CCCCCCCC(=O)O
Isomeric Smiles
CCCC/C=C/CCCCCCCC(=O)O
Calculated Properties
JChem
Acid pKa
4.9881673
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.37759
LogD (pH = 7.4)
2.6239338
Log P
5.0055237
Molar Refractivity
68.9982
Polarizability
26.786867
Polar Surface Area
37.3
Rotatable Bonds
11
Lipinski's Rule of Five
false
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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