Molecule

ID:99709

General Information
Structure
MolImage
Molecular Formula
C₆H₃BrClF₂N
Molecular Mass
242.4485264
Exact Mass
240.91054522
Charge
0
InChI
InChI=1S/C6H3BrClF2N/c7-2-1-3(9)4(8)5(10)6(2)11/h1H,11H2
InChIKey
WSZBCJHYBMSVAM-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(Br)c(c(c1Cl)F)N
Isomeric Smiles
Nc1c(c(c(cc1Br)F)Cl)F
Calculated Properties
JChem
Acid pKa
16.471651
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.8025165
LogD (pH = 7.4)
2.802521
Log P
2.802521
Molar Refractivity
43.6188
Polarizability
16.113636
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
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Molecule Details
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References
Bioactivity
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