Molecule

ID:116894

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆BrF₃
Molecular Mass
263.0538496
Exact Mass
261.96049685
Charge
0
InChI
InChI=1S/C10H6BrF3/c11-7-1-2-8-3-5-9(6-4-8)10(12,13)14/h3-6H,7H2
InChIKey
IAAHLTKKGCESBD-UHFFFAOYSA-N
Canonic Smiles
BrCC#Cc1ccc(cc1)C(F)(F)F
Isomeric Smiles
C(c1ccc(C#CCBr)cc1)(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.097676
LogD (pH = 7.4)
4.097676
Log P
4.097676
Molar Refractivity
50.514
Polarizability
18.824076
Polar Surface Area
0.0
Rotatable Bonds
3
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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