Molecule

ID:104961

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₉NaO₂
Molecular Mass
324.43283
Exact Mass
324.20652445
Charge
0
InChI
InChI=1S/C20H30O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22;/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-19H2,1H3,(H,21,22);/q;+1/p-1
InChIKey
RBZYGQJEMWGTOH-UHFFFAOYSA-M
Canonic Smiles
CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)[O-].[Na+]
Isomeric Smiles
[Na+].CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)[O-]
Calculated Properties
JChem
Acid pKa
4.819772
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.4632735
LogD (pH = 7.4)
3.6901412
Log P
6.2252493
Molar Refractivity
111.9077
Polarizability
36.808464
Polar Surface Area
40.13
Rotatable Bonds
13
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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