Molecule

ID:131440

General Information
Structure
MolImage
Molecular Formula
C₁₈H₃₆O₂
Molecular Mass
284.47724
Exact Mass
284.27153039
Charge
0
InChI
InChI=1S/C18H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18(2)19/h3-17H2,1-2H3
InChIKey
LSTDYDRCKUBPDI-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCCCOC(=O)C
Isomeric Smiles
CCCCCCCCCCCCCCCCOC(=O)C
Calculated Properties
JChem
LogD (pH = 7.4)
6.58
LogD (pH = 5.5)
6.58
Log P
6.58
Rotatable Bonds
16
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
false
Acid pKa
-6.99
Polar Surface Area
26.30
Polarizability
38.82
Molar Refractivity
86.50
LOG S
-7.20
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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