Molecule

ID:97453

General Information
Structure
MolImage
Molecular Formula
C₇H₆FIZn
Molecular Mass
301.4054132
Exact Mass
299.87896841
Charge
0
InChI
InChI=1S/C7H6F.HI.Zn/c1-6-2-4-7(8)5-3-6;;/h2,4-5H,1H3;1H;/q;;+1/p-1
InChIKey
PRGNEWAVDWRJKY-UHFFFAOYSA-M
Canonic Smiles
I[Zn]c1cc(F)ccc1C
Isomeric Smiles
[Zn](c1c(ccc(c1)F)C)I
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.7975
LogD (pH = 7.4)
2.7975
Log P
2.7975
Molar Refractivity
44.0727
Polarizability
20.383982
Polar Surface Area
0.0
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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