Molecule

ID:11850

General Information
Structure
MolImage
Molecular Formula
C₄H₆BrF₃O
Molecular Mass
206.9890496
Exact Mass
205.95541147
Charge
0
InChI
InChI=1S/C4H6BrF3O/c1-9-2-3(5)4(6,7)8/h3H,2H2,1H3
InChIKey
FYSQBSZARDNGLE-UHFFFAOYSA-N
Canonic Smiles
COCC(C(F)(F)F)Br
Isomeric Smiles
C(C(COC)Br)(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.9893979
LogD (pH = 7.4)
1.9893979
Log P
1.9893979
Molar Refractivity
30.4596
Polarizability
11.674291
Polar Surface Area
9.23
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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