Molecule

ID:112666

General Information
Structure
MolImage
Molecular Formula
C₁₉H₄₀O
Molecular Mass
284.5203
Exact Mass
284.3079159
Charge
0
InChI
InChI=1S/C19H40O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2,3)20/h20H,4-18H2,1-3H3
InChIKey
XQZLYLRSSSHRMG-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCCCC(O)(C)C
Isomeric Smiles
CCCCCCCCCCCCCCCCC(C)(C)O
Calculated Properties
JChem
Acid pKa
18.530775
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
7.281866
LogD (pH = 7.4)
7.281866
Log P
7.281866
Molar Refractivity
91.0049
Polarizability
36.401302
Polar Surface Area
20.23
Rotatable Bonds
15
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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