Molecule

ID:133274

General Information
Structure
MolImage
Molecular Formula
C₁₈H₃₆O₂
Molecular Mass
284.47724
Exact Mass
284.27153039
Charge
0
InChI
InChI=1S/C18H36O2/c1-17(2)15-13-11-9-7-5-4-6-8-10-12-14-16-18(19)20-3/h17H,4-16H2,1-3H3
InChIKey
BNHKXOIJKIMOJH-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CCCCCCCCCCCCCC(C)C
Isomeric Smiles
CC(C)CCCCCCCCCCCCCC(=O)OC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
6.689496
LogD (pH = 7.4)
6.689496
Log P
6.689496
Molar Refractivity
86.4013
Polarizability
34.66299
Polar Surface Area
26.3
Rotatable Bonds
15
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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