Molecule

ID:102549

General Information
Structure
MolImage
Molecular Formula
C₁₈H₃₆O₂
Molecular Mass
284.47724
Exact Mass
284.27153039
Charge
0
InChI
InChI=1S/C18H36O2/c1-17(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20/h17H,3-16H2,1-2H3,(H,19,20)
InChIKey
XDOFQFKRPWOURC-UHFFFAOYSA-N
Canonic Smiles
CC(CCCCCCCCCCCCCCC(=O)O)C
Isomeric Smiles
CC(C)CCCCCCCCCCCCCCC(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
4.57
LogD (pH = 5.5)
6.33
Log P
6.99
Rotatable Bonds
15
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
false
Acid pKa
4.95
Polar Surface Area
37.30
Polarizability
38.37
Molar Refractivity
86.23
LOG S
-7.60
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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