Molecule

ID:134705

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₈O₂
Molecular Mass
242.26808773
Exact Mass
242.25589787
Charge
0
InChI
InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1,11+1,12+1,13+1,14+1
InChIKey
TUNFSRHWOTWDNC-FIJHWJEJSA-N
Canonic Smiles
[13CH3][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13C](=O)O
Isomeric Smiles
[13CH3][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13C](=O)O
Calculated Properties
JChem
Acid pKa
4.9520197
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.71164
LogD (pH = 7.4)
2.9525049
Log P
5.3674455
Molar Refractivity
67.8816
Polarizability
27.025951
Polar Surface Area
37.3
Rotatable Bonds
12
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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