Molecule
ID:50852
General Information
Molecular Formula
C₆H₃BrFNO₂
Molecular Mass
219.9959232
Exact Mass
218.93311856
Charge
0
InChI
InChI=1S/C6H3BrFNO2/c7-6-4(8)2-1-3-5(6)9(10)11/h1-3H
InChIKey
ICIVWQQTOYDXDM-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cccc(c1Br)F
Isomeric Smiles
c1(c(c(ccc1)F)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
15.11782
Polar Surface Area
43.14
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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