Molecule

ID:105655

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₉NaO₃
Molecular Mass
210.24583
Exact Mass
210.12318875
Charge
0
InChI
InChI=1S/C10H20O3.Na/c1-2-3-4-6-9(11)7-5-8-10(12)13;/h9,11H,2-8H2,1H3,(H,12,13);/q;+1/p-1
InChIKey
YNAGNECWEKMWRM-UHFFFAOYSA-M
Canonic Smiles
CCCCCC(CCCC(=O)[O-])O.[Na+]
Isomeric Smiles
[Na+].CCCCCC(O)CCCC(=O)[O-]
Calculated Properties
JChem
Acid pKa
4.707692
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.3459859
LogD (pH = 7.4)
-0.4317452
Log P
2.2024522
Molar Refractivity
61.9842
Polarizability
20.180878
Polar Surface Area
60.36
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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