Molecule

ID:18434

General Information
Structure
MolImage
Molecular Formula
C₆H₂BrClFI
Molecular Mass
335.3399532
Exact Mass
333.80571596
Charge
0
InChI
InChI=1S/C6H2BrClFI/c7-4-1-3(8)2-5(9)6(4)10/h1-2H
InChIKey
IKJUIUCZEXVZMB-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(F)c(c(c1)Br)I
Isomeric Smiles
c1(c(c(cc(c1)Cl)F)I)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.4176893
LogD (pH = 7.4)
4.4176893
Log P
4.4176893
Molar Refractivity
52.0645
Polarizability
20.548468
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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