Molecule

ID:111913

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₉NaO₂
Molecular Mass
194.24643
Exact Mass
194.12827413
Charge
0
InChI
InChI=1S/C10H20O2.Na/c1-2-3-4-5-6-7-8-9-10(11)12;/h2-9H2,1H3,(H,11,12);/q;+1/p-1
InChIKey
FIWQZURFGYXCEO-UHFFFAOYSA-M
Canonic Smiles
CCCCCCCCCC(=O)[O-].[Na+]
Isomeric Smiles
[Na+].CCCCCCCCCC(=O)[O-]
Calculated Properties
JChem
Acid pKa
4.9520197
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.9333653
LogD (pH = 7.4)
1.1742302
Log P
3.5891707
Molar Refractivity
60.3147
Polarizability
19.546532
Polar Surface Area
40.13
Rotatable Bonds
8
Lipinski's Rule of Five
true
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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