Molecule

ID:129555

General Information
Structure
MolImage
Molecular Formula
C₆H₇NaO₂
Molecular Mass
134.10835
Exact Mass
134.03437375
Charge
0
InChI
InChI=1S/C6H8O2.Na/c1-2-3-4-5-6(7)8;/h2-5H,1H3,(H,7,8);/q;+1/p-1
InChIKey
LROWVYNUWKVTCU-UHFFFAOYSA-M
Canonic Smiles
C/C=C/C=C/C(=O)[O-].[Na+]
Isomeric Smiles
[Na+].[O-]C(=O)/C=C/C=C/C
Calculated Properties
JChem
Acid pKa
5.0070066
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.833179
LogD (pH = 7.4)
-0.91733533
Log P
1.446798
Molar Refractivity
44.1206
Polarizability
11.702172
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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