Molecule

ID:97676

General Information
Structure
MolImage
Molecular Formula
C₄H₂BrFN₂
Molecular Mass
176.9744832
Exact Mass
175.93853829
Charge
0
InChI
InChI=1S/C4H2BrFN2/c5-4-3(6)1-7-2-8-4/h1-2H
InChIKey
PPJOFMHOVLXHPA-UHFFFAOYSA-N
Canonic Smiles
Fc1cncnc1Br
Isomeric Smiles
n1cnc(c(c1)F)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.1667118
LogD (pH = 7.4)
1.166712
Log P
1.166712
Molar Refractivity
31.4037
Polarizability
11.500638
Polar Surface Area
25.78
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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