Molecule

ID:68518

General Information
Structure
MolImage
Molecular Formula
C₆H₅BrFN
Molecular Mass
190.0130032
Exact Mass
188.95893939
Charge
0
InChI
InChI=1S/C6H5BrFN/c7-6-4(8)2-1-3-5(6)9/h1-3H,9H2
InChIKey
XZRSXRUYZXBTGD-UHFFFAOYSA-N
Canonic Smiles
Brc1c(N)cccc1F
Isomeric Smiles
Nc1c(c(ccc1)F)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.0556116
LogD (pH = 7.4)
2.0557723
Log P
2.0557745
Molar Refractivity
38.5976
Polarizability
14.134717
Polar Surface Area
26.02
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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