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
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
Loading...
References
Loading...
Bioactivity
Loading...