Molecule

ID:105816

General Information
Structure
MolImage
Molecular Formula
C₆H₄NNa₂O₆P
Molecular Mass
263.052361
Exact Mass
262.95716205
Charge
0
InChI
InChI=1S/C6H6NO6P.2Na/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12;;/h1-4H,(H2,10,11,12);;/q;2*+1/p-2
InChIKey
VIYFPAMJCJLZKD-UHFFFAOYSA-L
Canonic Smiles
[O-][N+](=O)c1ccc(cc1)OP(=O)([O-])[O-].[Na+].[Na+]
Isomeric Smiles
[Na+].[Na+].[O-][N+](=O)c1ccc(OP(=O)([O-])[O-])cc1
Calculated Properties
JChem
Acid pKa
1.7670475
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
-1.4265567
LogD (pH = 7.4)
-2.163668
Log P
0.9557995
Molar Refractivity
42.9889
Polarizability
17.17706
Polar Surface Area
115.56
Rotatable Bonds
3
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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