Molecule

ID:2891

General Information
Structure
Molecular Formula
C₁₈H₃₆O₂
Molecular Mass
284.47724
Exact Mass
284.27153039
Charge
0
InChI
InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)
InChIKey
QIQXTHQIDYTFRH-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCCCCC(=O)O
Isomeric Smiles
CCCCCCCCCCCCCCCCCC(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
4.73
LogD (pH = 5.5)
6.49
Log P
7.15
Rotatable Bonds
16
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
false
Acid pKa
4.95
Polar Surface Area
37.30
Polarizability
38.64
Molar Refractivity
86.29
LOG S
-7.67
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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