Molecule

ID:8706

General Information
Structure
MolImage
Molecular Formula
C₆H₃Br₂F
Molecular Mass
253.8944232
Exact Mass
251.85855232
Charge
0
InChI
InChI=1S/C6H3Br2F/c7-4-1-2-6(9)5(8)3-4/h1-3H
InChIKey
MKHDDTWHDFVYDQ-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(c(c1)Br)F
Isomeric Smiles
c1(Br)cc(ccc1F)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.653453
LogD (pH = 7.4)
3.653453
Log P
3.653453
Molar Refractivity
41.52
Polarizability
16.124409
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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