Molecule

ID:77965

General Information
Structure
MolImage
Molecular Formula
C₆H₁₁ClO₂Zn
Molecular Mass
215.98334
Exact Mass
213.97389927
Charge
0
InChI
InChI=1S/C6H11O2.ClH.Zn/c1-5(7)8-6(2,3)4;;/h1H2,2-4H3;1H;/q;;+1/p-1
InChIKey
AVSJYWPEIJPINM-UHFFFAOYSA-M
Canonic Smiles
Cl[Zn]CC(=O)OC(C)(C)C
Isomeric Smiles
O(C(=O)C[Zn]Cl)C(C)(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.6173
LogD (pH = 7.4)
0.6173
Log P
0.6173
Molar Refractivity
36.4923
Polarizability
17.87768
Polar Surface Area
26.3
Rotatable Bonds
4
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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