Molecule

ID:109061

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₆O₄
Molecular Mass
258.35384
Exact Mass
258.18310931
Charge
0
InChI
InChI=1S/C14H26O4/c15-13(16)11-9-7-5-3-1-2-4-6-8-10-12-14(17)18/h1-12H2,(H,15,16)(H,17,18)
InChIKey
HQHCYKULIHKCEB-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCCCCCCCCCCCC(=O)O
Isomeric Smiles
OC(=O)CCCCCCCCCCCCC(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-0.78
LogD (pH = 5.5)
2.74
Log P
4.05
Rotatable Bonds
13
H Donor
2
H Acceptors
4
Lipinski's Rule of Five
true
Acid pKa
4.65
Polar Surface Area
74.60
Polarizability
31.10
Molar Refractivity
69.55
LOG S
-4.02
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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