Molecule

ID:109787

General Information
Structure
MolImage
Molecular Formula
C₆H₅AsNa₂O₄
Molecular Mass
262.00264
Exact Mass
261.9199182
Charge
0
InChI
InChI=1S/C6H7AsO4.2Na/c8-6-3-1-5(2-4-6)7(9,10)11;;/h1-4,8H,(H2,9,10,11);;/q;2*+1/p-2
InChIKey
ABUQRTKABBNNST-UHFFFAOYSA-L
Canonic Smiles
[O-]c1ccc(cc1)[As](=O)(O)[O-].[Na+].[Na+]
Isomeric Smiles
[Na+].[Na+].O[As](=O)([O-])c1ccc([O-])cc1
Calculated Properties
JChem
Acid pKa
3.6341486
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.0818051
LogD (pH = 7.4)
-1.6225027
Log P
0.644
Molar Refractivity
43.4559
Polarizability
16.207636
Polar Surface Area
83.42
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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