Molecule

ID:103365

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₄O₂
Molecular Mass
296.40336
Exact Mass
296.17763001
Charge
0
InChI
InChI=1S/C20H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-5,8,11,14,17-19H2,1H3,(H,21,22)
InChIKey
MGLDCXPLYOWQRP-UHFFFAOYSA-N
Canonic Smiles
CCCCCC#CCC#CCC#CCC#CCCCC(=O)O
Isomeric Smiles
CCCCCC#CCC#CCC#CCC#CCCCC(=O)O
Calculated Properties
JChem
Acid pKa
4.0834813
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.9441676
LogD (pH = 7.4)
3.2644348
Log P
6.373684
Molar Refractivity
92.9332
Polarizability
33.68693
Polar Surface Area
37.3
Rotatable Bonds
14
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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