Molecule

ID:82237

General Information
Structure
MolImage
Molecular Formula
C₂₀H₄₀O
Molecular Mass
296.531
Exact Mass
296.3079159
Charge
0
InChI
InChI=1S/C20H40O/c1-7-20(6,21)16-19(5)14-10-8-9-13-18(4)15-11-12-17(2)3/h7,17-19,21H,1,8-16H2,2-6H3
InChIKey
IOLVAUYSSNEWQQ-UHFFFAOYSA-N
Canonic Smiles
C=CC(CC(CCCCCC(CCCC(C)C)C)C)(O)C
Isomeric Smiles
OC(C=C)(CC(CCCCCC(CCCC(C)C)C)C)C
Calculated Properties
JChem
Acid pKa
18.578077
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
7.1836596
LogD (pH = 7.4)
7.1836596
Log P
7.1836596
Molar Refractivity
95.2618
Polarizability
38.01528
Polar Surface Area
20.23
Rotatable Bonds
13
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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