Molecule

ID:134763

General Information
Structure
MolImage
Molecular Formula
C₄H₇NaO₂
Molecular Mass
111.07960484
Exact Mass
111.03772858
Charge
0
InChI
InChI=1S/C4H8O2.Na/c1-2-3-4(5)6;/h2-3H2,1H3,(H,5,6);/q;+1/p-1/i2+1;
InChIKey
MFBOGIVSZKQAPD-CGOMOMTCSA-M
Canonic Smiles
[O-]C(=O)C[13CH2]C.[Na+]
Isomeric Smiles
C[13CH2]CC(=O)[O-].[Na+]
Calculated Properties
JChem
Acid pKa
4.9079223
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.23125745
LogD (pH = 7.4)
-1.5335919
Log P
0.9217588
Molar Refractivity
32.7087
Polarizability
8.534485
Polar Surface Area
40.13
Rotatable Bonds
2
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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