Molecule

ID:112502

General Information
Structure
MolImage
Molecular Formula
C₂₆H₅₄O
Molecular Mass
382.70636
Exact Mass
382.41746635
Charge
0
InChI
InChI=1S/C26H54O/c1-3-5-7-9-11-12-13-14-15-16-17-19-21-23-25-26(27)24-22-20-18-10-8-6-4-2/h26-27H,3-25H2,1-2H3
InChIKey
SQPREXYCBSQGDO-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCCCC(CCCCCCCCC)O
Isomeric Smiles
CCCCCCCCCCCCCCCCC(O)CCCCCCCCC
Calculated Properties
JChem
Acid pKa
18.484173
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
10.635793
LogD (pH = 7.4)
10.635793
Log P
10.635793
Molar Refractivity
123.0977
Polarizability
49.328854
Polar Surface Area
20.23
Rotatable Bonds
23
Lipinski's Rule of Five
false
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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