Molecule

ID:110648

General Information
Structure
MolImage
Molecular Formula
C₆H₅AsClNO₅
Molecular Mass
281.4822
Exact Mass
280.90722095
Charge
0
InChI
InChI=1S/C6H5AsClNO5/c8-5-2-1-4(7(10,11)12)3-6(5)9(13)14/h1-3H,(H2,10,11,12)
InChIKey
KCXLTLYNFDGRKZ-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cc(ccc1Cl)[As](=O)(O)O
Isomeric Smiles
O[As](=O)(O)c1ccc(Cl)c(c1)[N+](=O)[O-]
Calculated Properties
JChem
Acid pKa
3.277801
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-0.544418
LogD (pH = 7.4)
-0.88492346
Log P
1.4
Molar Refractivity
44.1759
Polarizability
20.036585
Polar Surface Area
103.35
Rotatable Bonds
2
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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