Molecule

ID:132214

General Information
Structure
MolImage
Molecular Formula
C₃₈H₇₄O₂
Molecular Mass
562.99296
Exact Mass
562.56888161
Charge
0
InChI
InChI=1S/C38H74O2/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-37-40-38(39)36-34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2/h18,22H,3-17,19-21,23-37H2,1-2H3/b22-18-
InChIKey
HKJBUPVMFYBSHI-PYCFMQQDSA-N
Canonic Smiles
CCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCC/C=C\CCCCCCCC
Isomeric Smiles
CCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCC/C=C\CCCCCCCC
Calculated Properties
JChem
LogD (pH = 7.4)
15.37
LogD (pH = 5.5)
15.37
Log P
15.37
Rotatable Bonds
35
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
false
Acid pKa
-7.03
Polar Surface Area
26.30
Polarizability
79.83
Molar Refractivity
179.66
LOG S
-16.25
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