Molecule

ID:112178

General Information
Structure
MolImage
Molecular Formula
C₁₈H₃₅NaO₂
Molecular Mass
306.45907
Exact Mass
306.25347464
Charge
0
InChI
InChI=1S/C18H36O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2-17H2,1H3,(H,19,20);/q;+1/p-1
InChIKey
RYYKJJJTJZKILX-UHFFFAOYSA-M
Canonic Smiles
CCCCCCCCCCCCCCCCCC(=O)[O-].[Na+]
Isomeric Smiles
[Na+].CCCCCCCCCCCCCCCCCC(=O)[O-]
Calculated Properties
JChem
LogD (pH = 7.4)
4.73
LogD (pH = 5.5)
6.49
Log P
7.15
Rotatable Bonds
16
H Donor
0
H Acceptors
2
Lipinski's Rule of Five
false
Acid pKa
4.95
Polar Surface Area
40.13
Polarizability
38.18
Molar Refractivity
97.12
LOG S
-7.67
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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