Molecule

ID:6854

General Information
Structure
MolImage
Molecular Formula
C₆H₃BrFI
Molecular Mass
300.8948932
Exact Mass
299.84468832
Charge
0
InChI
InChI=1S/C6H3BrFI/c7-4-1-2-6(9)5(8)3-4/h1-3H
InChIKey
XRMZKCQCINEBEI-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(c(c1)F)I
Isomeric Smiles
c1(ccc(c(c1)F)I)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.813645
LogD (pH = 7.4)
3.813645
Log P
3.813645
Molar Refractivity
47.2597
Polarizability
18.519613
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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