Molecule

ID:102430

General Information
Structure
Molecular Formula
C₂₂H₄₂O₂
Molecular Mass
338.56768
Exact Mass
338.31848058
Charge
0
InChI
InChI=1S/C22H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H,23,24)
InChIKey
DPUOLQHDNGRHBS-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCC/C=C/CCCCCCCCCCCC(=O)O
Isomeric Smiles
CCCCCCCC/C=C/CCCCCCCCCCCC(=O)O
Calculated Properties
JChem
Acid pKa
4.9520197
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
7.9062676
LogD (pH = 7.4)
6.1471324
Log P
8.562073
Molar Refractivity
105.8062
Polarizability
41.547195
Polar Surface Area
37.3
Rotatable Bonds
19
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation