Molecule

ID:88936

General Information
Structure
MolImage
Molecular Formula
C₇H₆Br₂
Molecular Mass
249.93054
Exact Mass
247.88362419
Charge
0
InChI
InChI=1S/C7H6Br2/c8-5-6-3-1-2-4-7(6)9/h1-4H,5H2
InChIKey
LZSYGJNFCREHMD-UHFFFAOYSA-N
Canonic Smiles
BrCc1ccccc1Br
Isomeric Smiles
BrCc1c(cccc1)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
17.864084
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
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation