Molecule

ID:132254

General Information
Structure
MolImage
Molecular Formula
C₅H₉NaO₂
Molecular Mass
126.10607199
Exact Mass
126.0532658
Charge
0
InChI
InChI=1S/C5H10O2.Na/c1-2-3-4-5(6)7;/h2-4H2,1H3,(H,6,7);/q;+1/p-1/i5+2;
InChIKey
LHYPLJGBYPAQAK-DFIQVTRPSA-M
Canonic Smiles
CCCC[14C](=O)O[Na]
Isomeric Smiles
CCCC[14C](=O)O[Na]
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.5641
LogD (pH = 7.4)
1.5641
Log P
1.5641
Molar Refractivity
25.545
Polarizability
12.378258
Polar Surface Area
26.3
Rotatable Bonds
4
Lipinski's Rule of Five
true
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