Molecule

ID:100280

General Information
Structure
MolImage
Molecular Formula
C₆H₄FIZn
Molecular Mass
287.3788332
Exact Mass
285.86331835
Charge
0
InChI
InChI=1S/C6H4F.HI.Zn/c7-6-4-2-1-3-5-6;;/h1-2,4-5H;1H;/q;;+1/p-1
InChIKey
GRDTUCMQMQTYBS-UHFFFAOYSA-M
Canonic Smiles
I[Zn]c1cccc(c1)F
Isomeric Smiles
[Zn](c1cc(ccc1)F)I
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.3303
LogD (pH = 7.4)
2.3303
Log P
2.3303
Molar Refractivity
39.0315
Polarizability
18.68408
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
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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