Molecule

ID:64858

General Information
Structure
MolImage
Molecular Formula
C₅H₂BrF₂N
Molecular Mass
193.9768864
Exact Mass
192.93386751
Charge
0
InChI
InChI=1S/C5H2BrF2N/c6-3-1-2-4(7)9-5(3)8/h1-2H
InChIKey
GLWVPTDEVHPILQ-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(n1)F)Br
Isomeric Smiles
c1c(nc(c(c1)Br)F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.5975912
LogD (pH = 7.4)
2.5975912
Log P
2.5975912
Molar Refractivity
33.9861
Polarizability
12.149361
Polar Surface Area
12.89
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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