Molecule

ID:91163

General Information
Structure
MolImage
Molecular Formula
C₇H₆Br₂
Molecular Mass
249.93054
Exact Mass
247.88362419
Charge
0
InChI
InChI=1S/C7H6Br2/c8-5-6-2-1-3-7(9)4-6/h1-4H,5H2
InChIKey
ZPCJPJQUVRIILS-UHFFFAOYSA-N
Canonic Smiles
BrCc1cccc(c1)Br
Isomeric Smiles
BrCc1cc(ccc1)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.5147357
LogD (pH = 7.4)
3.5147357
Log P
3.5147357
Molar Refractivity
46.5312
Polarizability
17.863365
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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