Molecule

ID:132202

General Information
Structure
MolImage
Molecular Formula
C₃₄H₆₆O₂
Molecular Mass
506.88664
Exact Mass
506.50628135
Charge
0
InChI
InChI=1S/C34H66O2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34(35)36-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h17,19H,3-16,18,20-33H2,1-2H3/b19-17-
InChIKey
JYTMDBGMUIAIQH-ZPHPHTNESA-N
Canonic Smiles
CCCCCCCCCCCCCCCCOC(=O)CCCCCCC/C=C\CCCCCCCC
Isomeric Smiles
CCCCCCCCCCCCCCCCOC(=O)CCCCCCC/C=C\CCCCCCCC
Calculated Properties
JChem
LogD (pH = 7.4)
13.59
LogD (pH = 5.5)
13.59
Log P
13.59
Rotatable Bonds
31
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
false
Acid pKa
-7.03
Polar Surface Area
26.30
Polarizability
70.99
Molar Refractivity
161.26
LOG S
-14.46
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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