Molecule

ID:97816

General Information
Structure
MolImage
Molecular Formula
C₈H₄BrFN₂
Molecular Mass
227.0331632
Exact Mass
225.95418836
Charge
0
InChI
InChI=1S/C8H4BrFN2/c9-5-3-6(10)8-7(4-5)11-1-2-12-8/h1-4H
InChIKey
MWNUJVQOZMVOAW-UHFFFAOYSA-N
Canonic Smiles
Brc1cc(F)c2c(c1)nccn2
Isomeric Smiles
n1ccnc2cc(cc(c12)F)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.210529
LogD (pH = 7.4)
2.210533
Log P
2.210533
Molar Refractivity
45.2896
Polarizability
18.563725
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
No Data Available
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Molecule Details
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References
Bioactivity
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