Molecule

ID:28682

General Information
Structure
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Molecular Formula
C₆H₂BrF₄N
Molecular Mass
243.9843928
Exact Mass
242.93067395
Charge
0
InChI
InChI=1S/C6H2BrF4N/c7-4-1-3(6(9,10)11)2-12-5(4)8/h1-2H
InChIKey
HKACHYLUXHBYMO-UHFFFAOYSA-N
Canonic Smiles
Fc1ncc(cc1Br)C(F)(F)F
Isomeric Smiles
c1(c(cc(cn1)C(F)(F)F)Br)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.938807
LogD (pH = 7.4)
2.938807
Log P
2.938807
Molar Refractivity
38.7287
Polarizability
13.962084
Polar Surface Area
12.89
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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