Molecule

ID:11940

General Information
Structure
MolImage
Molecular Formula
C₆H₃BrClF
Molecular Mass
209.4434232
Exact Mass
207.909068
Charge
0
InChI
InChI=1S/C6H3BrClF/c7-4-2-1-3-5(9)6(4)8/h1-3H
InChIKey
GTIWFNAUYPVPAT-UHFFFAOYSA-N
Canonic Smiles
Clc1c(F)cccc1Br
Isomeric Smiles
c1cc(c(c(c1)Br)Cl)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.488745
LogD (pH = 7.4)
3.488745
Log P
3.488745
Molar Refractivity
38.702
Polarizability
14.982981
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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