Molecule

ID:128715

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/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-
InChIKey
ZQPPMHVWECSIRJ-KTKRTIGZSA-N
Canonic Smiles
CCCCCCCC/C=C\CCCCCCCC(=O)O
Isomeric Smiles
CCCCCCCC/C=C\CCCCCCCC(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
4.40
LogD (pH = 5.5)
6.16
Log P
6.78
Rotatable Bonds
15
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
false
Acid pKa
4.99
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
Molecule Details
References
Bioactivity
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