Molecule

ID:8724

General Information
Structure
MolImage
Molecular Formula
C₁₃H₈Br₂
Molecular Mass
324.01062
Exact Mass
321.89927426
Charge
0
InChI
InChI=1S/C13H8Br2/c14-10-1-3-12-8(6-10)5-9-7-11(15)2-4-13(9)12/h1-4,6-7H,5H2
InChIKey
AVXFJPFSWLMKSG-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc2c(c1)Cc1c2ccc(c1)Br
Isomeric Smiles
c12c3c(Cc1cc(cc2)Br)cc(cc3)Br
Calculated Properties
JChem
Acid pKa
17.314909
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.2765245
LogD (pH = 7.4)
5.2765245
Log P
5.2765245
Molar Refractivity
70.119
Polarizability
27.757202
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
false
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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