Molecule

ID:99631

General Information
Structure
MolImage
Molecular Formula
C₆H₂ClF₂I
Molecular Mass
274.4343564
Exact Mass
273.88578218
Charge
0
InChI
InChI=1S/C6H2ClF2I/c7-5-3(8)1-2-4(10)6(5)9/h1-2H
InChIKey
PLZBGQHUCKRNDK-UHFFFAOYSA-N
Canonic Smiles
Ic1ccc(c(c1F)Cl)F
Isomeric Smiles
Fc1c(c(c(cc1)I)F)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.7916389
LogD (pH = 7.4)
3.7916389
Log P
3.7916389
Molar Refractivity
44.6581
Polarizability
17.3299
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
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Molecule Details
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References
Bioactivity
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