Molecule

ID:91000

General Information
Structure
MolImage
Molecular Formula
C₇H₆Br₂
Molecular Mass
249.93054
Exact Mass
247.88362419
Charge
0
InChI
InChI=1S/C7H6Br2/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H3
InChIKey
QKEZTJYRBHOKHH-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(c(c1)C)Br
Isomeric Smiles
Brc1c(cc(cc1)Br)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.0241723
LogD (pH = 7.4)
4.0241723
Log P
4.0241723
Molar Refractivity
46.3448
Polarizability
17.885117
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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