Molecule

ID:100517

General Information
Structure
Molecular Formula
C₆H₂BrF₂I
Molecular Mass
318.8853564
Exact Mass
317.8352665
Charge
0
InChI
InChI=1S/C6H2BrF2I/c7-3-1-6(10)5(9)2-4(3)8/h1-2H
InChIKey
OKFGWPYCEDYPAF-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(F)c(cc1Br)I
Isomeric Smiles
Brc1c(cc(c(c1)I)F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.9563468
LogD (pH = 7.4)
3.9563468
Log P
3.9563468
Molar Refractivity
47.4761
Polarizability
18.509129
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
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References
Bioactivity
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