Molecule

ID:112653

General Information
Structure
MolImage
Molecular Formula
C₂₀H₁₂N₂Na₂O₇S₂
Molecular Mass
502.42802
Exact Mass
501.9881313
Charge
0
InChI
InChI=1S/C20H14N2O7S2.2Na/c23-20-15-8-4-3-7-14(15)19(31(27,28)29)11-17(20)22-21-16-9-10-18(30(24,25)26)13-6-2-1-5-12(13)16;;/h1-11,21H,(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2
InChIKey
OJNIRNOPCQQNRY-UHFFFAOYSA-L
Canonic Smiles
O=C1/C(=N\Nc2ccc(c3c2cccc3)S(=O)(=O)[O-])/C=C(c2c1cccc2)S(=O)(=O)[O-].[Na+].[Na+]
Isomeric Smiles
[Na+].[Na+].[O-]S(=O)(=O)c1ccc(N/N=C\2/C=C(c3ccccc3C2=O)S(=O)(=O)[O-])c2ccccc12
Calculated Properties
JChem
Acid pKa
-2.1592393
H Acceptors
9
H Donor
1
LogD (pH = 5.5)
-1.5299091
LogD (pH = 7.4)
-1.5303283
Log P
0.49921894
Molar Refractivity
113.2659
Polarizability
44.844147
Polar Surface Area
155.86
Rotatable Bonds
4
Lipinski's Rule of Five
false
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
Navigation
CAS 3567-69-9|SOLOCHROME BRILLIANT BLUE|dipotassium 4-[2-(1-oxo-4-sulfonatonaphthalen-2-ylidene)hydrazin-1-yl]naphthalene-1-sulfonate|disodium 4-[2-(1-oxo-4-sulfonato-1,2-dihydronaphthalen-2-ylidene... | Molfinder