Molecule

ID:12666

General Information
Structure
MolImage
Molecular Formula
C₆H₄N₂OS₂
Molecular Mass
184.23876
Exact Mass
183.97650476
Charge
0
InChI
InChI=1S/C6H4N2OS2/c10-6-8-7-5(9-6)4-2-1-3-11-4/h1-3H,(H,8,10)
InChIKey
BRVMOBLCZJOKJV-UHFFFAOYSA-N
Canonic Smiles
Sc1nnc(o1)c1cccs1
Isomeric Smiles
c1(oc(nn1)S)c1sccc1
Calculated Properties
JChem
Acid pKa
6.810562
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.5141163
LogD (pH = 7.4)
0.9041968
Log P
1.534061
Molar Refractivity
56.4582
Polarizability
17.521696
Polar Surface Area
38.92
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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