Molecule

ID:96952

General Information
Structure
MolImage
Molecular Formula
C₇H₄BrF₃O₃S
Molecular Mass
305.0690696
Exact Mass
303.90166165
Charge
0
InChI
InChI=1S/C7H4BrF3O3S/c8-5-1-3-6(4-2-5)14-15(12,13)7(9,10)11/h1-4H
InChIKey
UNYUEWLAYXLXHK-UHFFFAOYSA-N
Canonic Smiles
FC(S(=O)(=O)Oc1ccc(cc1)Br)(F)F
Isomeric Smiles
FC(F)(F)S(=O)(=O)Oc1ccc(cc1)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.952709
LogD (pH = 7.4)
3.952709
Log P
3.952709
Molar Refractivity
48.8646
Polarizability
19.864136
Polar Surface Area
43.37
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
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Molecule Details
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References
Bioactivity
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