Molecule

ID:50853

General Information
Structure
Molecular Formula
C₆H₃BrFNO₂
Molecular Mass
219.9959232
Exact Mass
218.93311856
Charge
0
InChI
InChI=1S/C6H3BrFNO2/c7-4-2-1-3-5(8)6(4)9(10)11/h1-3H
InChIKey
VFPAOFBPEYCAAZ-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1c(F)cccc1Br
Isomeric Smiles
c1(c(cccc1F)Br)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.8246846
LogD (pH = 7.4)
2.8246846
Log P
2.8246846
Molar Refractivity
40.2177
Polarizability
15.112403
Polar Surface Area
43.14
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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