Molecule

ID:110774

General Information
Structure
MolImage
Molecular Formula
C₁₂H₉NaO₂
Molecular Mass
208.18843
Exact Mass
208.05002381
Charge
0
InChI
InChI=1S/C12H10O2.Na/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10;/h1-7H,8H2,(H,13,14);/q;+1/p-1
InChIKey
CJUUXVFWKYRHAR-UHFFFAOYSA-M
Canonic Smiles
[O-]C(=O)Cc1cccc2c1cccc2.[Na+]
Isomeric Smiles
[Na+].[O-]C(=O)Cc1cccc2c1cccc2
Calculated Properties
JChem
Acid pKa
4.7483635
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.778723
LogD (pH = 7.4)
0.0018995868
Log P
2.6004708
Molar Refractivity
64.6529
Polarizability
21.949816
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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