Molecule

ID:6935

General Information
Structure
MolImage
Molecular Formula
C₆H₄BrI
Molecular Mass
282.90443
Exact Mass
281.85411013
Charge
0
InChI
InChI=1S/C6H4BrI/c7-5-2-1-3-6(8)4-5/h1-4H
InChIKey
CTPUUDQIXKUAMO-UHFFFAOYSA-N
Canonic Smiles
Brc1cccc(c1)I
Isomeric Smiles
c1(cccc(c1)I)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.670943
LogD (pH = 7.4)
3.670943
Log P
3.670943
Molar Refractivity
47.0433
Polarizability
18.559706
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
References
Bioactivity
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