Molecule
ID:11840
General Information
Molecular Formula
C₂BrF₂N
Molecular Mass
155.9289064
Exact Mass
154.91821745
Charge
0
InChI
InChI=1S/C2BrF2N/c3-2(4,5)1-6
InChIKey
PWSYCGWXKUPFKT-UHFFFAOYSA-N
Canonic Smiles
N#CC(Br)(F)F
Isomeric Smiles
C(#N)C(F)(F)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.3239912
LogD (pH = 7.4)
1.3239912
Log P
1.3239912
Molar Refractivity
20.2765
Polarizability
7.480916
Polar Surface Area
23.79
Rotatable Bonds
0
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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