Molecule

ID:87286

General Information
Structure
MolImage
Molecular Formula
C₂₀H₄₂O
Molecular Mass
298.54688
Exact Mass
298.32356596
Charge
0
InChI
InChI=1S/C20H42O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h21H,2-20H2,1H3
InChIKey
BTFJIXJJCSYFAL-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCCCCCCCO
Isomeric Smiles
OCCCCCCCCCCCCCCCCCCCC
Calculated Properties
JChem
LogD (pH = 7.4)
7.92
LogD (pH = 5.5)
7.92
Log P
7.92
Rotatable Bonds
18
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
false
Acid pKa
-1.99
Polar Surface Area
20.23
Polarizability
42.97
Molar Refractivity
95.75
LOG S
-8.61
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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