Molecule

ID:107797

General Information
Structure
MolImage
Molecular Formula
C₆H₆NaO₂P
Molecular Mass
164.074171
Exact Mass
164.00031034
Charge
0
InChI
InChI=1S/C6H7O2P.Na/c7-9(8)6-4-2-1-3-5-6;/h1-5,9H,(H,7,8);/q;+1/p-1
InChIKey
OHIDUEQCSBPCMZ-UHFFFAOYSA-M
Canonic Smiles
[O-]P(=O)c1ccccc1.[Na+]
Isomeric Smiles
[Na+].[O-]P(=O)c1ccccc1
Calculated Properties
JChem
Acid pKa
2.918505
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-1.4057299
LogD (pH = 7.4)
-1.5725914
Log P
0.6886
Molar Refractivity
34.3601
Polarizability
13.946236
Polar Surface Area
40.13
Rotatable Bonds
1
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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