Molecule

ID:107973

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀Zn
Molecular Mass
219.5878
Exact Mass
218.00739232
Charge
0
InChI
InChI=1S/2C6H5.Zn/c2*1-2-4-6-5-3-1;/h2*1-5H;
InChIKey
MKRVHLWAVKJBFN-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)[Zn]c1ccccc1
Isomeric Smiles
[Zn](c1ccccc1)c1ccccc1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.36
LogD (pH = 7.4)
3.36
Log P
3.36
Molar Refractivity
50.9486
Polarizability
23.167198
Polar Surface Area
0.0
Rotatable Bonds
2
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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