Molecule

ID:38210

General Information
Structure
MolImage
Molecular Formula
C₅BrF₄N
Molecular Mass
229.9578128
Exact Mass
228.91502389
Charge
0
InChI
InChI=1S/C5BrF4N/c6-1-2(7)4(9)11-5(10)3(1)8
InChIKey
YZCGGIUJABHGRQ-UHFFFAOYSA-N
Canonic Smiles
Fc1nc(F)c(c(c1F)Br)F
Isomeric Smiles
c1(F)c(F)c(Br)c(F)c(F)n1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.8829951
LogD (pH = 7.4)
2.8829951
Log P
2.8829951
Molar Refractivity
34.4189
Polarizability
12.199382
Polar Surface Area
12.89
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
No Data Available
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Molecule Details
References
Bioactivity
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