Molecule

ID:18095

General Information
Structure
MolImage
Molecular Formula
C₅H₃BrFN
Molecular Mass
175.9864232
Exact Mass
174.94328932
Charge
0
InChI
InChI=1S/C5H3BrFN/c6-4-2-1-3-5(7)8-4/h1-3H
InChIKey
ZIDIKYIZXMYHAW-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc(n1)Br
Isomeric Smiles
c1c(nc(cc1)Br)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.2664807
LogD (pH = 7.4)
2.2664807
Log P
2.2664807
Molar Refractivity
33.5972
Polarizability
12.22904
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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