Molecule

ID:111172

General Information
Structure
MolImage
Molecular Formula
C₆H₅NaO
Molecular Mass
116.09307
Exact Mass
116.02380906
Charge
0
InChI
InChI=1S/C6H6O.Na/c7-6-4-2-1-3-5-6;/h1-5,7H;/q;+1/p-1
InChIKey
NESLWCLHZZISNB-UHFFFAOYSA-M
Canonic Smiles
[O-]c1ccccc1.[Na+]
Isomeric Smiles
[Na+].[O-]c1ccccc1
Calculated Properties
JChem
LogD (pH = 7.4)
1.67
LogD (pH = 5.5)
1.67
Log P
1.67
Rotatable Bonds
0
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
10.02
Polar Surface Area
23.06
Polarizability
9.43
Molar Refractivity
38.59
LOG S
-0.90
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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