Molecule

ID:110970

General Information
Structure
Molecular Formula
C₂₈H₅₄O₂
Molecular Mass
422.72716
Exact Mass
422.41238097
Charge
0
InChI
InChI=1S/C28H54O2/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-21-23-25-27-30-28(29)26-24-22-20-10-8-6-4-2/h14-15H,3-13,16-27H2,1-2H3
InChIKey
YDQHQURZVOIGHI-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCC/C=C/CCCCCCCCOC(=O)CCCCCCCCC
Isomeric Smiles
CCCCCCCCCC(=O)OCCCCCCCC/C=C/CCCCCCCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
10.921003
LogD (pH = 7.4)
10.921003
Log P
10.921003
Molar Refractivity
133.6509
Polarizability
52.88674
Polar Surface Area
26.3
Rotatable Bonds
25
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