Molecule

ID:8819

General Information
Structure
MolImage
Molecular Formula
C₇H₆BrCl
Molecular Mass
205.47954
Exact Mass
203.93413987
Charge
0
InChI
InChI=1S/C7H6BrCl/c8-7-3-1-6(5-9)2-4-7/h1-4H,5H2
InChIKey
BSIIGUGKOPPTPZ-UHFFFAOYSA-N
Canonic Smiles
ClCc1ccc(cc1)Br
Isomeric Smiles
c1c(ccc(c1)Br)CCl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.3292406
LogD (pH = 7.4)
3.3292406
Log P
3.3292406
Molar Refractivity
43.5477
Polarizability
16.822065
Polar Surface Area
0.0
Rotatable Bonds
1
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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