Molecule

ID:109094

General Information
Structure
MolImage
Molecular Formula
C₆H₆AsClO₃
Molecular Mass
236.48464
Exact Mass
235.92214273
Charge
0
InChI
InChI=1S/C6H6AsClO3/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H,(H2,9,10,11)
InChIKey
OAKWMQGNBGGJGT-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)[As](=O)(O)O
Isomeric Smiles
O[As](=O)(O)c1ccc(Cl)cc1
Calculated Properties
JChem
Acid pKa
3.4543526
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.39785853
LogD (pH = 7.4)
-0.8263986
Log P
1.4464
Molar Refractivity
36.8512
Polarizability
17.848711
Polar Surface Area
57.53
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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