Molecule
ID:112663
General Information
Molecular Formula
C₂₀H₄₂O
Molecular Mass
298.54688
Exact Mass
298.32356596
Charge
0
InChI
InChI=1S/C20H42O/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(3,21)5-2/h21H,4-19H2,1-3H3
InChIKey
ZHUUALXCQCMTKN-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCCCC(CC)(O)C
Isomeric Smiles
CCCCCCCCCCCCCCCCC(C)(O)CC
Calculated Properties
JChem
Acid pKa
19.094189
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
7.8043885
LogD (pH = 7.4)
7.8043885
Log P
7.8043885
Molar Refractivity
95.5289
Polarizability
38.248028
Polar Surface Area
20.23
Rotatable Bonds
16
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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