Molecule

ID:89164

General Information
Structure
MolImage
Molecular Formula
C₈H₈Br₂
Molecular Mass
263.95712
Exact Mass
261.89927426
Charge
0
InChI
InChI=1S/C8H8Br2/c1-5-3-6(2)8(10)4-7(5)9/h3-4H,1-2H3
InChIKey
SOYPUUFPUFRXRI-UHFFFAOYSA-N
Canonic Smiles
Brc1cc(Br)c(cc1C)C
Isomeric Smiles
Brc1c(cc(c(c1)Br)C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.537594
LogD (pH = 7.4)
4.537594
Log P
4.537594
Molar Refractivity
51.386
Polarizability
19.604025
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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