Molecule

ID:21404

General Information
Structure
MolImage
Molecular Formula
C₅H₃BrFN
Molecular Mass
175.9864232
Exact Mass
174.94328932
Charge
0
InChI
InChI=1S/C5H3BrFN/c6-5-4(7)2-1-3-8-5/h1-3H
InChIKey
IFGLECYAEGYLSJ-UHFFFAOYSA-N
Canonic Smiles
Fc1cccnc1Br
Isomeric Smiles
c1cnc(c(c1)F)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.8725498
LogD (pH = 7.4)
1.87255
Log P
1.87255
Molar Refractivity
32.5825
Polarizability
12.235442
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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