Molecule

ID:98488

General Information
Structure
Molecular Formula
C₃H₄BrF₃O₃S
Molecular Mass
257.0262696
Exact Mass
255.90166165
Charge
0
InChI
InChI=1S/C3H4BrF3O3S/c4-1-2-10-11(8,9)3(5,6)7/h1-2H2
InChIKey
KENPFZUYYWVXNW-UHFFFAOYSA-N
Canonic Smiles
BrCCOS(=O)(=O)C(F)(F)F
Isomeric Smiles
O(CCBr)S(=O)(=O)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.375983
LogD (pH = 7.4)
2.375983
Log P
2.375983
Molar Refractivity
33.791
Polarizability
14.351818
Polar Surface Area
43.37
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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