Molecule

ID:111570

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₈N₂S₄Zn
Molecular Mass
442.04692
Exact Mass
440.04267491
Charge
0
InChI
InChI=1S/2C8H15NS2.Zn/c2*1-8(2)5-3-4-6-9(8)7(10)11;/h2*3-6H2,1-2H3,(H,10,11);/q;;+2/p-2
InChIKey
CULIEUDONPPSAW-UHFFFAOYSA-L
Canonic Smiles
[S-]C(=S)N1CCCCC1(C)C.[S-]C(=S)N1CCCCC1(C)C.[Zn+2]
Isomeric Smiles
[Zn+2].CC1(C)CCCCN1C(=S)[S-].CC1(C)CCCCN1C(=S)[S-]
Calculated Properties
JChem
Acid pKa
1.9867717
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
1.700095
LogD (pH = 7.4)
1.6984023
Log P
2.8413627
Molar Refractivity
57.459698
Polarizability
22.709816
Polar Surface Area
3.24
Rotatable Bonds
0
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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