Molecule

ID:75509

General Information
Structure
MolImage
Molecular Formula
C₈H₆Br₄
Molecular Mass
421.74924
Exact Mass
417.72029819
Charge
0
InChI
InChI=1S/C8H6Br4/c9-3-5-1-7(11)6(4-10)2-8(5)12/h1-2H,3-4H2
InChIKey
UOCMTKLYRROETA-UHFFFAOYSA-N
Canonic Smiles
BrCc1cc(Br)c(cc1Br)CBr
Isomeric Smiles
Brc1c(cc(c(c1)CBr)Br)CBr
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.056226
LogD (pH = 7.4)
5.056226
Log P
5.056226
Molar Refractivity
67.0044
Polarizability
25.926853
Polar Surface Area
0.0
Rotatable Bonds
2
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
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References
Bioactivity
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