Molecule

ID:98345

General Information
Structure
MolImage
Molecular Formula
C₆H₂BrF₄N
Molecular Mass
243.9843928
Exact Mass
242.93067395
Charge
0
InChI
InChI=1S/C6H2BrF4N/c7-5-3(8)1-2-4(12-5)6(9,10)11/h1-2H
InChIKey
SJOPTDNFZAGRFI-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(nc1Br)C(F)(F)F
Isomeric Smiles
n1c(c(ccc1C(F)(F)F)F)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.1362488
LogD (pH = 7.4)
3.1362488
Log P
3.1362488
Molar Refractivity
38.1842
Polarizability
14.0061455
Polar Surface Area
12.89
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
No Data Available
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Molecule Details
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References
Bioactivity
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