Molecule

ID:98430

General Information
Structure
MolImage
Molecular Formula
C₆H₃ClFIZn
Molecular Mass
321.8238932
Exact Mass
319.824346
Charge
0
InChI
InChI=1S/C6H3ClF.HI.Zn/c7-5-2-1-3-6(8)4-5;;/h1-2,4H;1H;/q;;+1/p-1
InChIKey
RNQQYOODTVXASE-UHFFFAOYSA-M
Canonic Smiles
I[Zn]c1ccc(cc1F)Cl
Isomeric Smiles
[Zn](c1c(cc(cc1)Cl)F)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
20.704342
Polar Surface Area
0.0
Rotatable Bonds
1
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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