Molecule

ID:59450

General Information
Structure
MolImage
Molecular Formula
C₆H₂BrF₄N
Molecular Mass
243.9843928
Exact Mass
242.93067395
Charge
0
InChI
InChI=1S/C6H2BrF4N/c7-3-1-4(8)5(12-2-3)6(9,10)11/h1-2H
InChIKey
ZYPJKTSNQGVERF-UHFFFAOYSA-N
Canonic Smiles
Brc1cnc(c(c1)F)C(F)(F)F
Isomeric Smiles
c1(c(cc(cn1)Br)F)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.9307268
LogD (pH = 7.4)
2.9307268
Log P
2.9307268
Molar Refractivity
37.342
Polarizability
13.958843
Polar Surface Area
12.89
Rotatable Bonds
1
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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