Molecule

ID:87771

General Information
Structure
Molecular Formula
C₇H₆BrCl
Molecular Mass
205.47954
Exact Mass
203.93413987
Charge
0
InChI
InChI=1S/C7H6BrCl/c1-5-2-6(8)4-7(9)3-5/h2-4H,1H3
InChIKey
YRIKDGJWRMHTJP-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(Cl)cc(c1)Br
Isomeric Smiles
Brc1cc(cc(c1)C)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.8594644
LogD (pH = 7.4)
3.8594644
Log P
3.8594644
Molar Refractivity
43.5268
Polarizability
16.798801
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
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References
Bioactivity
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