Molecule

ID:89210

General Information
Structure
MolImage
Molecular Formula
C₈H₈Br₂
Molecular Mass
263.95712
Exact Mass
261.89927426
Charge
0
InChI
InChI=1S/C8H8Br2/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8H,6H2
InChIKey
SHKKTLSDGJRCTR-UHFFFAOYSA-N
Canonic Smiles
BrCC(c1ccccc1)Br
Isomeric Smiles
BrC(c1ccccc1)CBr
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.6557353
LogD (pH = 7.4)
3.6557353
Log P
3.6557353
Molar Refractivity
50.9054
Polarizability
19.563707
Polar Surface Area
0.0
Rotatable Bonds
2
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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