Molecule

ID:16356

General Information
Structure
MolImage
Molecular Formula
C₆H₅BrFN
Molecular Mass
190.0130032
Exact Mass
188.95893939
Charge
0
InChI
InChI=1S/C6H5BrFN/c1-4-5(8)2-3-6(7)9-4/h2-3H,1H3
InChIKey
BFQONZCQHGIKIY-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(c(n1)C)F
Isomeric Smiles
c1(c(nc(cc1)Br)C)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.0039186
LogD (pH = 7.4)
2.00392
Log P
2.00392
Molar Refractivity
37.174
Polarizability
13.94039
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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