Molecule

ID:51933

General Information
Structure
MolImage
Molecular Formula
C₆H₂BrF₃OS
Molecular Mass
259.0436896
Exact Mass
257.89618234
Charge
0
InChI
InChI=1S/C6H2BrF3OS/c7-3-1-4(12-2-3)5(11)6(8,9)10/h1-2H
InChIKey
FRLDQRVGRGTWAL-UHFFFAOYSA-N
Canonic Smiles
O=C(C(F)(F)F)c1scc(c1)Br
Isomeric Smiles
C(=O)(C(F)(F)F)c1cc(cs1)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.344856
LogD (pH = 7.4)
3.344856
Log P
3.344856
Molar Refractivity
41.9837
Polarizability
15.657839
Polar Surface Area
17.07
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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