Molecule

ID:109596

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₈O₃
Molecular Mass
268.39172
Exact Mass
268.20384476
Charge
0
InChI
InChI=1S/C16H28O3/c1-2-3-4-5-6-7-8-9-10-11-12-14-13-15(17)19-16(14)18/h14H,2-13H2,1H3
InChIKey
YAXXOCZAXKLLCV-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCC1CC(=O)OC1=O
Isomeric Smiles
CCCCCCCCCCCCC1CC(=O)OC1=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.1689305
LogD (pH = 7.4)
5.1689305
Log P
5.1689305
Molar Refractivity
75.5171
Polarizability
30.305735
Polar Surface Area
43.37
Rotatable Bonds
11
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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