Molecule

ID:132144

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₈NaO₂
Molecular Mass
299.40349
Exact Mass
299.19869942
Charge
0
InChI
InChI=1S/C18H28O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h3-4,6-7,9-10,12-13H,2,5,8,11,14-17H2,1H3,(H,19,20);/b4-3+,7-6+,10-9+,13-12+;
InChIKey
ZSPQZCFOBCDKNR-NZNZRORWSA-N
Canonic Smiles
CC/C=C/C/C=C/C/C=C/C/C=C/CCCCC(=O)O.[Na]
Isomeric Smiles
CC/C=C/C/C=C/C/C=C/C/C=C/CCCCC(=O)O.[Na]
Calculated Properties
JChem
Acid pKa
4.922493
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.0190783
LogD (pH = 7.4)
3.256
Log P
5.6980333
Molar Refractivity
90.752
Polarizability
33.45659
Polar Surface Area
37.3
Rotatable Bonds
12
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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