Molecule

ID:95130

General Information
Structure
MolImage
Molecular Formula
C₆H₃BrClFMg
Molecular Mass
233.7484232
Exact Mass
231.8941097
Charge
0
InChI
InChI=1S/C6H3ClF.BrH.Mg/c7-5-3-1-2-4-6(5)8;;/h2-4H;1H;/q;;+1/p-1
InChIKey
XRNCDMQVKMYTAM-UHFFFAOYSA-M
Canonic Smiles
Br[Mg]c1ccc(c(c1)Cl)F
Isomeric Smiles
Clc1c(ccc(c1)[Mg]Br)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.4448
LogD (pH = 7.4)
2.4448
Log P
2.4448
Molar Refractivity
39.2307
Polarizability
16.846949
Polar Surface Area
0.0
Rotatable Bonds
1
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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