Molecule

ID:97371

General Information
Structure
MolImage
Molecular Formula
C₆H₃ClFIZn
Molecular Mass
321.8238932
Exact Mass
319.824346
Charge
0
InChI
InChI=1S/C6H3ClF.HI.Zn/c7-5-3-1-2-4-6(5)8;;/h2-4H;1H;/q;;+1/p-1
InChIKey
SPGDVPVXEPOIJD-UHFFFAOYSA-M
Canonic Smiles
I[Zn]c1ccc(c(c1)Cl)F
Isomeric Smiles
[Zn](c1cc(c(cc1)F)Cl)I
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.8483
LogD (pH = 7.4)
2.8483
Log P
2.8483
Molar Refractivity
43.8363
Polarizability
20.719374
Polar Surface Area
0.0
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
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Bioactivity
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