Molecule

ID:99758

General Information
Structure
MolImage
Molecular Formula
C₆HBrClF₃
Molecular Mass
245.4243496
Exact Mass
243.89022437
Charge
0
InChI
InChI=1S/C6HBrClF3/c7-2-1-3(9)5(10)6(11)4(2)8/h1H
InChIKey
QVKOVRVAPIYNAL-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(Br)c(c(c1F)F)Cl
Isomeric Smiles
Brc1c(c(c(c(c1)F)F)F)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.774149
LogD (pH = 7.4)
3.774149
Log P
3.774149
Molar Refractivity
39.1348
Polarizability
14.896603
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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