Molecule

ID:52765

General Information
Structure
MolImage
Molecular Formula
C₆H₂BrF₃OS
Molecular Mass
259.0436896
Exact Mass
257.89618234
Charge
0
InChI
InChI=1S/C6H2BrF3OS/c7-4-2-1-3(12-4)5(11)6(8,9)10/h1-2H
InChIKey
QXMOQHVZCMIYOZ-UHFFFAOYSA-N
Canonic Smiles
O=C(C(F)(F)F)c1ccc(s1)Br
Isomeric Smiles
c1(ccc(s1)Br)C(=O)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.5108519
LogD (pH = 7.4)
3.5108519
Log P
3.5108519
Molar Refractivity
41.1436
Polarizability
15.6853695
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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