Molecule

ID:6636

General Information
Structure
MolImage
Molecular Formula
C₇H₄BrF₃O
Molecular Mass
241.0052696
Exact Mass
239.93976141
Charge
0
InChI
InChI=1S/C7H4BrF3O/c8-5-2-1-3-6(4-5)12-7(9,10)11/h1-4H
InChIKey
WVUDHWBCPSXAFN-UHFFFAOYSA-N
Canonic Smiles
Brc1cccc(c1)OC(F)(F)F
Isomeric Smiles
O(C(F)(F)F)c1cccc(c1)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.17311
LogD (pH = 7.4)
4.17311
Log P
4.17311
Molar Refractivity
36.7511
Polarizability
15.474741
Polar Surface Area
9.23
Rotatable Bonds
2
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
No Data Available
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Molecule Details
References
Bioactivity
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