Molecule

ID:107285

General Information
Structure
MolImage
Molecular Formula
C₈H₉AsClNO₄
Molecular Mass
293.53596
Exact Mass
292.94360645
Charge
0
InChI
InChI=1S/C8H9AsClNO4/c10-5-8(12)11-7-3-1-6(2-4-7)9(13,14)15/h1-4H,5H2,(H,11,12)(H2,13,14,15)
InChIKey
BWPMHDNLIGQVLN-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)Nc1ccc(cc1)[As](=O)(O)O
Isomeric Smiles
O[As](=O)(O)c1ccc(NC(=O)CCl)cc1
Calculated Properties
JChem
Acid pKa
3.50651
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-0.9665058
LogD (pH = 7.4)
-1.4248067
Log P
0.845
Molar Refractivity
51.6626
Polarizability
22.75182
Polar Surface Area
86.63
Rotatable Bonds
3
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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