Molecule
ID:59460
General Information
Molecular Formula
C₂₂H₄₄O
Molecular Mass
324.58416
Exact Mass
324.33921603
Charge
0
InChI
InChI=1S/C22H44O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h22H,2-21H2,1H3
InChIKey
ULCXRAFXRZTNRO-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCCCCCCCCC=O
Isomeric Smiles
C(=O)CCCCCCCCCCCCCCCCCCCCC
Calculated Properties
JChem
Acid pKa
15.555514
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
8.765379
LogD (pH = 7.4)
8.765379
Log P
8.765379
Molar Refractivity
103.7642
Polarizability
41.389694
Polar Surface Area
17.07
Rotatable Bonds
20
Lipinski's Rule of Five
false
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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