Molecule

ID:94291

General Information
Structure
MolImage
Molecular Formula
C₃BrF₄N
Molecular Mass
205.9364128
Exact Mass
204.91502389
Charge
0
InChI
InChI=1S/C3BrF4N/c4-2(5,1-9)3(6,7)8
InChIKey
UYKONJMGEVDWRP-UHFFFAOYSA-N
Canonic Smiles
N#CC(C(F)(F)F)(Br)F
Isomeric Smiles
FC(F)(F)C(F)(Br)C#N
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.9255923
LogD (pH = 7.4)
1.9255923
Log P
1.9255923
Molar Refractivity
25.0363
Polarizability
9.3632765
Polar Surface Area
23.79
Rotatable Bonds
1
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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