Molecule

ID:68894

General Information
Structure
MolImage
Molecular Formula
C₅H₂BrFN₂O₂
Molecular Mass
220.9839832
Exact Mass
219.92836753
Charge
0
InChI
InChI=1S/C5H2BrFN2O2/c6-5-4(9(10)11)1-3(7)2-8-5/h1-2H
InChIKey
XJFDIIHIXNIWQH-UHFFFAOYSA-N
Canonic Smiles
Fc1cnc(c(c1)[N+](=O)[O-])Br
Isomeric Smiles
c1(c(cc(cn1)F)[N+](=O)[O-])Br
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.8125342
LogD (pH = 7.4)
1.8125342
Log P
1.8125342
Molar Refractivity
38.903
Polarizability
14.426512
Polar Surface Area
56.03
Rotatable Bonds
1
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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