Molecule

ID:108909

General Information
Structure
MolImage
Molecular Formula
C₁₂H₉AsClN
Molecular Mass
277.58116
Exact Mass
276.96394797
Charge
0
InChI
InChI=1S/C12H9AsClN/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8,15H
InChIKey
PBNSPNYJYOYWTA-UHFFFAOYSA-N
Canonic Smiles
Cl[As]1c2ccccc2Nc2c1cccc2
Isomeric Smiles
Cl[As]1c2ccccc2Nc2ccccc12
Calculated Properties
JChem
Acid pKa
18.831287
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.5438974
LogD (pH = 7.4)
3.5439
Log P
3.5439
Molar Refractivity
59.5131
Polarizability
25.991556
Polar Surface Area
12.03
Rotatable Bonds
0
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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