Molecule

ID:2185

General Information
Structure
Molecular Formula
C₁₃H₂₆O₂
Molecular Mass
214.34434
Exact Mass
214.19328007
Charge
0
InChI
InChI=1S/C13H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h2-12H2,1H3,(H,14,15)
InChIKey
SZHOJFHSIKHZHA-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCC(=O)O
Isomeric Smiles
OC(=O)CCCCCCCCCCCC
Calculated Properties
JChem
LogD (pH = 7.4)
2.51
LogD (pH = 5.5)
4.27
Log P
4.92
Rotatable Bonds
11
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
4.95
Polar Surface Area
37.30
Polarizability
27.96
Molar Refractivity
63.28
LOG S
-5.11
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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