Molecule

ID:90525

General Information
Structure
MolImage
Molecular Formula
C₁₈H₃₆O₂
Molecular Mass
284.47724
Exact Mass
284.27153039
Charge
0
InChI
InChI=1S/C18H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-4-2/h3-17H2,1-2H3
InChIKey
XIRNKXNNONJFQO-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCCC(=O)OCC
Isomeric Smiles
O(CC)C(=O)CCCCCCCCCCCCCCC
Calculated Properties
JChem
LogD (pH = 7.4)
6.76
LogD (pH = 5.5)
6.76
Log P
6.76
Rotatable Bonds
16
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
false
Acid pKa
-7.03
Polar Surface Area
26.30
Polarizability
38.47
Molar Refractivity
86.60
LOG S
-7.18
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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