Molecule

ID:111178

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₃NaO₂
Molecular Mass
222.29959
Exact Mass
222.15957426
Charge
0
InChI
InChI=1S/C12H24O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;/h2-11H2,1H3,(H,13,14);/q;+1/p-1
InChIKey
BTURAGWYSMTVOW-UHFFFAOYSA-M
Canonic Smiles
CCCCCCCCCCCC(=O)[O-].[Na+]
Isomeric Smiles
[Na+].CCCCCCCCCCCC(=O)[O-]
Calculated Properties
JChem
LogD (pH = 7.4)
2.06
LogD (pH = 5.5)
3.82
Log P
4.48
Rotatable Bonds
10
H Donor
0
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
4.95
Polar Surface Area
40.13
Polarizability
25.37
Molar Refractivity
69.52
LOG S
-4.59
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation