Molecule

ID:130249

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈N₂O₂S₂Zn
Molecular Mass
317.69272
Exact Mass
315.93186151
Charge
0
InChI
InChI=1S/2C5H5NOS.Zn/c2*7-6-4-2-1-3-5(6)8;/h2*1-4,8H;/q;;+2/p-2
InChIKey
OTPSWLRZXRHDNX-UHFFFAOYSA-L
Canonic Smiles
c1ccc2[n+](c1)O[Zn-2]1(S2)Sc2[n+](O1)cccc2
Isomeric Smiles
c1cc[n+]2c(c1)S[Zn-2]1(O2)O[n+]2ccccc2S1
Calculated Properties
JChem
Acid pKa
19.19427
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-2.1913483
LogD (pH = 7.4)
-2.1913483
Log P
-2.1913483
Molar Refractivity
63.0922
Polarizability
28.77188
Polar Surface Area
26.22
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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