Molecule

ID:72552

General Information
Structure
MolImage
Molecular Formula
C₈H₁₅NaO₂
Molecular Mass
166.19327
Exact Mass
166.096974
Charge
0
InChI
InChI=1S/C8H16O2.Na/c1-3-5-7(6-4-2)8(9)10;/h7H,3-6H2,1-2H3,(H,9,10);/q;+1/p-1
InChIKey
AEQFSUDEHCCHBT-UHFFFAOYSA-M
Canonic Smiles
CCCC(C(=O)O[Na])CCC
Isomeric Smiles
CCCC(C(=O)O[Na])CCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.9191
LogD (pH = 7.4)
2.9191
Log P
2.9191
Molar Refractivity
39.3215
Polarizability
17.879791
Polar Surface Area
26.3
Rotatable Bonds
6
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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