Molecule

ID:128786

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₂As₂N₂O₆
Molecular Mass
430.07668
Exact Mass
429.91272811
Charge
0
InChI
InChI=1S/C12H12As2N2O6/c17-13(18,19)9-1-5-11(6-2-9)15-16-12-7-3-10(4-8-12)14(20,21)22/h1-8H,(H2,17,18,19)(H2,20,21,22)
InChIKey
ITRMROGJSNWFKO-UHFFFAOYSA-N
Canonic Smiles
O[As](=O)(c1ccc(cc1)/N=N/c1ccc(cc1)[As](=O)(O)O)O
Isomeric Smiles
O[As](=O)(O)c1ccc(/N=N/c2ccc(cc2)[As](=O)(O)O)cc1
Calculated Properties
JChem
Acid pKa
3.088929
H Acceptors
8
H Donor
4
LogD (pH = 5.5)
-1.6534637
LogD (pH = 7.4)
-2.4411402
Log P
2.1122
Molar Refractivity
72.3538
Polarizability
32.7731
Polar Surface Area
139.78
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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