Molecule

ID:136289

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₂Zn
Molecular Mass
231.68308
Exact Mass
230.1012927
Charge
0
InChI
InChI=1S/2C6H11.Zn/c2*1-2-4-6-5-3-1;/h2*1H,2-6H2;
InChIKey
NFBPCQSTZITERU-UHFFFAOYSA-N
Canonic Smiles
C1CCC(CC1)[Zn]C1CCCCC1
Isomeric Smiles
C1CCC(CC1)[Zn]C1CCCCC1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.3818
LogD (pH = 7.4)
3.3818
Log P
3.3818
Molar Refractivity
53.3234
Polarizability
24.622787
Polar Surface Area
0.0
Rotatable Bonds
2
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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