Molecule

ID:514

General Information
Structure
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Molecular Formula
C₂₂H₄₆O
Molecular Mass
326.60004
Exact Mass
326.35486609
Charge
0
InChI
InChI=1S/C22H46O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h23H,2-22H2,1H3
InChIKey
NOPFSRXAKWQILS-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCCCCCCCCCO
Isomeric Smiles
OCCCCCCCCCCCCCCCCCCCCCC
Calculated Properties
JChem
LogD (pH = 7.4)
8.81
LogD (pH = 5.5)
8.81
Log P
8.81
Rotatable Bonds
20
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
false
Acid pKa
-1.99
Polar Surface Area
20.23
Polarizability
47.27
Molar Refractivity
104.95
LOG S
-9.60
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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