Molecule

ID:111594

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₀N₂S₄Zn
Molecular Mass
361.9192
Exact Mass
359.98007465
Charge
0
InChI
InChI=1S/2C5H11NS2.Zn/c2*1-3-6(4-2)5(7)8;/h2*3-4H2,1-2H3,(H,7,8);/q;;+2/p-2
InChIKey
RKQOSDAEEGPRER-UHFFFAOYSA-L
Canonic Smiles
CCN(C(=S)[S-])CC.CCN(C(=S)[S-])CC.[Zn+2]
Isomeric Smiles
[Zn+2].CCN(CC)C(=S)[S-].CCN(CC)C(=S)[S-]
Calculated Properties
JChem
LogD (pH = 7.4)
0.86
LogD (pH = 5.5)
0.87
Log P
2.01
Rotatable Bonds
4
H Donor
0
H Acceptors
0
Lipinski's Rule of Five
true
Acid pKa
2.00
Polar Surface Area
3.24
Polarizability
16.04
Molar Refractivity
45.76
LOG S
-2.11
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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