Molecule

ID:93097

General Information
Structure
MolImage
Molecular Formula
C₅HBr₂F₂N
Molecular Mass
272.8729464
Exact Mass
270.84437948
Charge
0
InChI
InChI=1S/C5HBr2F2N/c6-2-1-3(7)5(9)10-4(2)8/h1H
InChIKey
FGTBUWCNYCKCTK-UHFFFAOYSA-N
Canonic Smiles
Brc1cc(Br)c(nc1F)F
Isomeric Smiles
n1c(c(cc(c1F)Br)Br)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.3663437
LogD (pH = 7.4)
3.3663437
Log P
3.3663437
Molar Refractivity
41.6089
Polarizability
15.424239
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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