Molecule

ID:6940

General Information
Structure
Molecular Formula
C₇H₆BrI
Molecular Mass
296.93101
Exact Mass
295.86976019
Charge
0
InChI
InChI=1S/C7H6BrI/c1-5-2-3-7(9)6(8)4-5/h2-4H,1H3
InChIKey
PLAKKSAFIZVHJP-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(c1)Br)I
Isomeric Smiles
c1c(c(cc(c1)C)Br)I
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.1843643
LogD (pH = 7.4)
4.1843643
Log P
4.1843643
Molar Refractivity
52.0845
Polarizability
20.272655
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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