Molecule

ID:52130

General Information
Structure
MolImage
Molecular Formula
C₇H₆BrI
Molecular Mass
296.93101
Exact Mass
295.86976019
Charge
0
InChI
InChI=1S/C7H6BrI/c8-5-6-2-1-3-7(9)4-6/h1-4H,5H2
InChIKey
BACZSVQZBSCWIG-UHFFFAOYSA-N
Canonic Smiles
BrCc1cccc(c1)I
Isomeric Smiles
C(c1cc(ccc1)I)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.6749277
LogD (pH = 7.4)
3.6749277
Log P
3.6749277
Molar Refractivity
52.2709
Polarizability
20.245739
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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