Molecule

ID:77353

General Information
Structure
MolImage
Molecular Formula
C₆H₄BrCl
Molecular Mass
191.45296
Exact Mass
189.91848981
Charge
0
InChI
InChI=1S/C6H4BrCl/c7-5-2-1-3-6(8)4-5/h1-4H
InChIKey
JRGGUPZKKTVKOV-UHFFFAOYSA-N
Canonic Smiles
Clc1cccc(c1)Br
Isomeric Smiles
Brc1cc(ccc1)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.346043
LogD (pH = 7.4)
3.346043
Log P
3.346043
Molar Refractivity
38.4856
Polarizability
15.063697
Polar Surface Area
0.0
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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