Molecule

ID:22237

General Information
Structure
Molecular Formula
C₆H₅BrFN
Molecular Mass
190.0130032
Exact Mass
188.95893939
Charge
0
InChI
InChI=1S/C6H5BrFN/c1-4-5(7)2-3-6(8)9-4/h2-3H,1H3
InChIKey
GUYGQQWIKZLHTP-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(n1)C)Br
Isomeric Smiles
c1(c(nc(cc1)F)C)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.1923287
LogD (pH = 7.4)
2.1923287
Log P
2.1923287
Molar Refractivity
37.3465
Polarizability
13.89406
Polar Surface Area
12.89
Rotatable Bonds
0
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
No Data Available
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Molecule Details
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References
Bioactivity
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