Molecule

ID:8169

General Information
Structure
Molecular Formula
C₇H₄BrF₃
Molecular Mass
225.0058696
Exact Mass
223.94484679
Charge
0
InChI
InChI=1S/C7H4BrF3/c8-3-4-1-5(9)7(11)6(10)2-4/h1-2H,3H2
InChIKey
MPEKZIYOLQCWLL-UHFFFAOYSA-N
Canonic Smiles
BrCc1cc(F)c(c(c1)F)F
Isomeric Smiles
c1(c(c(cc(c1)CBr)F)F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.174089
LogD (pH = 7.4)
3.174089
Log P
3.174089
Molar Refractivity
39.5576
Polarizability
14.494663
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
References
Bioactivity
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