Molecule

ID:103008

General Information
Structure
MolImage
Molecular Formula
C₇H₆NNaO₂
Molecular Mass
159.11781
Exact Mass
159.02962272
Charge
0
InChI
InChI=1S/C7H7NO2.Na/c8-6-3-1-5(2-4-6)7(9)10;/h1-4H,8H2,(H,9,10);/q;+1/p-1
InChIKey
XETSAYZRDCRPJY-UHFFFAOYSA-M
Canonic Smiles
[O-]C(=O)c1ccc(cc1)N.[Na+]
Isomeric Smiles
[Na+].Nc1ccc(cc1)C(=O)[O-]
Calculated Properties
JChem
Acid pKa
4.7698936
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.026663689
LogD (pH = 7.4)
-1.7997302
Log P
0.8019028
Molar Refractivity
48.8517
Polarizability
13.720574
Polar Surface Area
66.15
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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