Molecule

ID:131342

General Information
Structure
MolImage
Molecular Formula
C₂₀H₃₄NaO₂
Molecular Mass
329.47253
Exact Mass
329.24564961
Charge
0
InChI
InChI=1S/C20H34O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22;/h3-4,6-7,9-10H,2,5,8,11-19H2,1H3,(H,21,22);/b4-3-,7-6-,10-9-;
InChIKey
NHMHXNUWLUOYFC-IFNWOZJISA-N
Canonic Smiles
CC/C=C\C/C=C\C/C=C\CCCCCCCCCC(=O)O.[Na]
Isomeric Smiles
CC/C=C\C/C=C\C/C=C\CCCCCCCCCC(=O)O.[Na]
Calculated Properties
JChem
Acid pKa
4.9520197
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
6.293287
LogD (pH = 7.4)
4.534152
Log P
6.9490924
Molar Refractivity
98.8374
Polarizability
37.38399
Polar Surface Area
37.3
Rotatable Bonds
15
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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