Molecule

ID:6549

General Information
Structure
MolImage
Molecular Formula
C₆H₃BrF₂
Molecular Mass
192.9888264
Exact Mass
191.93861854
Charge
0
InChI
InChI=1S/C6H3BrF2/c7-4-1-2-5(8)6(9)3-4/h1-3H
InChIKey
YMQPKONILWWJQG-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(c(c1)F)F
Isomeric Smiles
c1(c(ccc(c1)Br)F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.0274024
LogD (pH = 7.4)
3.0274024
Log P
3.0274024
Molar Refractivity
34.1136
Polarizability
12.865352
Polar Surface Area
0.0
Rotatable Bonds
0
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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