Molecule

ID:84382

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉BrCl₂N₂
Molecular Mass
320.01256
Exact Mass
317.93261566
Charge
0
InChI
InChI=1S/C11H9Cl2N2.BrH/c12-10-6-9(7-11(13)14-10)8-15-4-2-1-3-5-15;/h1-7H,8H2;1H/q+1;/p-1
InChIKey
VWLCLNIUCLKTDI-UHFFFAOYSA-M
Canonic Smiles
Clc1cc(C[n+]2ccccc2)cc(n1)Cl.[Br-]
Isomeric Smiles
n1c(cc(cc1Cl)C[n+]1ccccc1)Cl.[Br-]
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
-1.0325506
LogD (pH = 7.4)
-1.0325506
Log P
-1.0325506
Molar Refractivity
64.2444
Polarizability
24.00259
Polar Surface Area
16.77
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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