Molecule

ID:69951

General Information
Structure
MolImage
Molecular Formula
C₆H₄BrCl
Molecular Mass
191.45296
Exact Mass
189.91848981
Charge
0
InChI
InChI=1S/C6H4BrCl/c7-5-3-1-2-4-6(5)8/h1-4H
InChIKey
QBELEDRHMPMKHP-UHFFFAOYSA-N
Canonic Smiles
Clc1ccccc1Br
Isomeric Smiles
c1(c(cccc1)Cl)Br
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
15.077807
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
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation