Molecule

ID:80092

General Information
Structure
MolImage
Molecular Formula
C₈H₆Br₄
Molecular Mass
421.74924
Exact Mass
417.72029819
Charge
0
InChI
InChI=1S/C8H6Br4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4,7-8H
InChIKey
VIQBABDKNOOCQD-UHFFFAOYSA-N
Canonic Smiles
BrC(c1ccc(cc1)C(Br)Br)Br
Isomeric Smiles
BrC(c1ccc(cc1)C(Br)Br)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.65392
LogD (pH = 7.4)
3.65392
Log P
3.65392
Molar Refractivity
67.1664
Polarizability
25.793264
Polar Surface Area
0.0
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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