Molecule

ID:6941

General Information
Structure
Molecular Formula
C₇H₆BrI
Molecular Mass
296.93101
Exact Mass
295.86976019
Charge
0
InChI
InChI=1S/C7H6BrI/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H3
InChIKey
GHTUADBHTFHMNI-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(c(c1)C)I
Isomeric Smiles
c1(ccc(c(c1)C)I)Br
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
20.26762
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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