Molecule

ID:2713

General Information
Structure
MolImage
Molecular Formula
C₆H₈AsNO₃
Molecular Mass
217.05422
Exact Mass
216.97201412
Charge
0
InChI
InChI=1S/C6H8AsNO3/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H,8H2,(H2,9,10,11)
InChIKey
XKNKHVGWJDPIRJ-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)[As](=O)(O)O
Isomeric Smiles
Nc1ccc(cc1)[As](=O)(O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-2.10
LogD (pH = 5.5)
-1.42
Log P
-0.28
Rotatable Bonds
1
H Donor
3
H Acceptors
4
Lipinski's Rule of Five
true
Acid pKa
4.01
Polar Surface Area
83.55
Polarizability
16.28
Molar Refractivity
36.75
LOG S
-0.39
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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