Molecule

ID:83316

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₂N₂O₄S₄
Molecular Mass
376.49468
Exact Mass
375.96799087
Charge
0
InChI
InChI=1S/C12H12N2O4S4/c13-21(15,16)11-7-3-1-5-9(11)19-20-10-6-2-4-8-12(10)22(14,17)18/h1-8H,(H2,13,15,16)(H2,14,17,18)
InChIKey
SZULOHXSKBKUSS-UHFFFAOYSA-N
Canonic Smiles
NS(=O)(=O)c1ccccc1SSc1ccccc1S(=O)(=O)N
Isomeric Smiles
S(=O)(=O)(c1c(cccc1)SSc1c(cccc1)S(=O)(=O)N)N
Calculated Properties
JChem
Acid pKa
9.384786
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.7857563
LogD (pH = 7.4)
1.781833
Log P
1.7858065
Molar Refractivity
86.776
Polarizability
36.662434
Polar Surface Area
120.32
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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