Molecule

ID:111180

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₇NaO₂
Molecular Mass
250.35275
Exact Mass
250.19087439
Charge
0
InChI
InChI=1S/C14H28O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;/h2-13H2,1H3,(H,15,16);/q;+1/p-1
InChIKey
JUQGWKYSEXPRGL-UHFFFAOYSA-M
Canonic Smiles
CCCCCCCCCCCCCC(=O)[O-].[Na+]
Isomeric Smiles
[Na+].CCCCCCCCCCCCCC(=O)[O-]
Calculated Properties
JChem
Acid pKa
4.9520197
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.71164
LogD (pH = 7.4)
2.9525049
Log P
5.3674455
Molar Refractivity
78.7187
Polarizability
26.917377
Polar Surface Area
40.13
Rotatable Bonds
12
Lipinski's Rule of Five
false
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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