Molecule

ID:105373

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₈O₃
Molecular Mass
244.37032
Exact Mass
244.20384476
Charge
0
InChI
InChI=1S/C14H28O3/c1-2-3-4-5-6-7-8-9-10-11-12-13(15)14(16)17/h13,15H,2-12H2,1H3,(H,16,17)
InChIKey
JYZJYKOZGGEXSX-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCC(C(=O)O)O
Isomeric Smiles
CCCCCCCCCCCCC(O)C(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
1.50
LogD (pH = 5.5)
3.23
Log P
4.50
Rotatable Bonds
12
H Donor
2
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
4.26
Polar Surface Area
57.53
Polarizability
30.87
Molar Refractivity
69.37
LOG S
-5.32
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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