Molecule

ID:22240

General Information
Structure
MolImage
Molecular Formula
C₆H₄Br₂FN
Molecular Mass
268.9090632
Exact Mass
266.86945135
Charge
0
InChI
InChI=1S/C6H4Br2FN/c1-3-4(7)2-5(8)6(9)10-3/h2H,1H3
InChIKey
ZZOBKZCUSSJOAZ-UHFFFAOYSA-N
Canonic Smiles
Brc1cc(Br)c(nc1C)F
Isomeric Smiles
c1(c(cc(c(n1)C)Br)Br)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.9610815
LogD (pH = 7.4)
2.9610815
Log P
2.9610815
Molar Refractivity
44.9693
Polarizability
17.090427
Polar Surface Area
12.89
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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