Molecule

ID:66011

General Information
Structure
MolImage
Molecular Formula
C₇H₄BrF₃
Molecular Mass
225.0058696
Exact Mass
223.94484679
Charge
0
InChI
InChI=1S/C7H4BrF3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,7H
InChIKey
YHQZVEGLXIBPRA-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(c(c1)C(F)F)F
Isomeric Smiles
c1(c(cc(cc1)Br)C(F)F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.2737885
LogD (pH = 7.4)
3.2737885
Log P
3.2737885
Molar Refractivity
38.9812
Polarizability
14.624163
Polar Surface Area
0.0
Rotatable Bonds
1
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
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References
Bioactivity
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