Molecule

ID:93068

General Information
Structure
Molecular Formula
C₃H₂BrF₄NO
Molecular Mass
223.9516928
Exact Mass
222.92558857
Charge
0
InChI
InChI=1S/C3H2BrF4NO/c4-2(5,1(9)10)3(6,7)8/h(H2,9,10)
InChIKey
LTPBSKMKLDNUOJ-UHFFFAOYSA-N
Canonic Smiles
NC(=O)C(C(F)(F)F)(Br)F
Isomeric Smiles
NC(=O)C(C(F)(F)F)(F)Br
Calculated Properties
JChem
Acid pKa
5.6384635
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.0108103
LogD (pH = 7.4)
0.708051
Log P
1.1494285
Molar Refractivity
27.8792
Polarizability
10.747569
Polar Surface Area
43.09
Rotatable Bonds
2
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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