Molecule

ID:111881

General Information
Structure
MolImage
Molecular Formula
C₆H₃Br₃
Molecular Mass
314.80002
Exact Mass
311.7784861
Charge
0
InChI
InChI=1S/C6H3Br3/c7-4-1-2-5(8)6(9)3-4/h1-3H
InChIKey
FWAJPSIPOULHHH-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(c(c1)Br)Br
Isomeric Smiles
Brc1ccc(Br)c(Br)c1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.279504
LogD (pH = 7.4)
4.279504
Log P
4.279504
Molar Refractivity
48.9264
Polarizability
19.377132
Polar Surface Area
0.0
Rotatable Bonds
0
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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