Molecule

ID:74446

General Information
Structure
MolImage
Molecular Formula
C₈H₇NaO₂
Molecular Mass
158.12975
Exact Mass
158.03437375
Charge
0
InChI
InChI=1S/C8H8O2.Na/c9-8(10)6-7-4-2-1-3-5-7;/h1-5H,6H2,(H,9,10);/q;+1/p-1
InChIKey
HZOREEUASZHZBI-UHFFFAOYSA-M
Canonic Smiles
[O-]C(=O)Cc1ccccc1.[Na+]
Isomeric Smiles
[Na+].[O-]C(=O)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
4.5469437
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.6132117
LogD (pH = 7.4)
-1.1596477
Log P
1.6109941
Molar Refractivity
48.2027
Polarizability
14.409171
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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