Molecule

ID:99517

General Information
Structure
MolImage
Molecular Formula
C₇H₆ClFZn
Molecular Mass
209.9539432
Exact Mass
207.94334809
Charge
0
InChI
InChI=1S/C7H6F.ClH.Zn/c1-6-4-2-3-5-7(6)8;;/h2-5H,1H2;1H;/q;;+1/p-1
InChIKey
LTICZKRGJCRVLT-UHFFFAOYSA-M
Canonic Smiles
Cl[Zn]Cc1ccccc1F
Isomeric Smiles
Fc1c(cccc1)C[Zn]Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.1965
LogD (pH = 7.4)
2.1965
Log P
2.1965
Molar Refractivity
36.7176
Polarizability
17.107119
Polar Surface Area
0.0
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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