Molecule

ID:100688

General Information
Structure
MolImage
Molecular Formula
C₃H₄BrCl₂F
Molecular Mass
209.8722632
Exact Mass
207.88574571
Charge
0
InChI
InChI=1S/C3H4BrCl2F/c4-2-1-3(5,6)7/h1-2H2
InChIKey
KXTZKWXVQJZKQA-UHFFFAOYSA-N
Canonic Smiles
BrCCC(Cl)(Cl)F
Isomeric Smiles
FC(Cl)(Cl)CCBr
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.3986232
LogD (pH = 7.4)
2.3986232
Log P
2.3986232
Molar Refractivity
33.8673
Polarizability
13.024775
Polar Surface Area
0.0
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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