Molecule

ID:134213

General Information
Structure
MolImage
Molecular Formula
C₁₈H₃₄NaO₃
Molecular Mass
321.45053
Exact Mass
321.24056423
Charge
0
InChI
InChI=1S/C18H34O3.Na/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;/h9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21);/b12-9+;
InChIKey
ZCEUYFQZJDGDEF-NBYYMMLRSA-N
Canonic Smiles
CCCCCCC(C/C=C/CCCCCCCC(=O)O)O.[Na]
Isomeric Smiles
CCCCCCC(C/C=C/CCCCCCCC(=O)O)O.[Na]
Calculated Properties
JChem
Acid pKa
4.9881673
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
4.7691464
LogD (pH = 7.4)
3.01549
Log P
5.39708
Molar Refractivity
89.0717
Polarizability
34.769547
Polar Surface Area
57.53
Rotatable Bonds
15
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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