Molecule

ID:6860

General Information
Structure
MolImage
Molecular Formula
C₆H₅BrFN
Molecular Mass
190.0130032
Exact Mass
188.95893939
Charge
0
InChI
InChI=1S/C6H5BrFN/c7-4-1-2-6(9)5(8)3-4/h1-3H,9H2
InChIKey
GZRMNMGWNKSANY-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(c(c1)F)N
Isomeric Smiles
c1(c(cc(cc1)Br)F)N
Calculated Properties
JChem
Acid pKa
18.98873
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.0556662
LogD (pH = 7.4)
2.055773
Log P
2.0557745
Molar Refractivity
38.5976
Polarizability
14.124957
Polar Surface Area
26.02
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
References
Bioactivity
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