Molecule

ID:4347

General Information
Structure
MolImage
Molecular Formula
C₁₈H₃₄O₂
Molecular Mass
282.46136
Exact Mass
282.25588033
Charge
0
InChI
InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-8H,2-6,9-17H2,1H3,(H,19,20)/b8-7-
InChIKey
UWHZIFQPPBDJPM-FPLPWBNLSA-N
Canonic Smiles
CCCCCC/C=C\CCCCCCCCCC(=O)O
Isomeric Smiles
CCCCCC/C=C\CCCCCCCCCC(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
4.37
LogD (pH = 5.5)
6.13
Log P
6.78
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
37.09
Molar Refractivity
87.40
LOG S
-7.42
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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