Molecule

ID:68984

General Information
Structure
MolImage
Molecular Formula
C₆H₂BrF₂NO₂
Molecular Mass
237.9863864
Exact Mass
236.92369675
Charge
0
InChI
InChI=1S/C6H2BrF2NO2/c7-4-1-3(8)2-5(9)6(4)10(11)12/h1-2H
InChIKey
XIDAMEPMZLNCNG-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(F)c(c(c1)Br)[N+](=O)[O-]
Isomeric Smiles
c1(c(cc(cc1F)F)Br)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.9673865
LogD (pH = 7.4)
2.9673865
Log P
2.9673865
Molar Refractivity
40.4341
Polarizability
15.075249
Polar Surface Area
43.14
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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