Molecule

ID:116215

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈N₂S₂
Molecular Mass
220.31392
Exact Mass
220.01289027
Charge
0
InChI
InChI=1S/C10H8N2S2/c11-10-12-9-6-3-1-2-4-7(6)13-5-8(9)14-10/h1-4H,5H2,(H2,11,12)
InChIKey
WGBUMKYAWGTOBY-UHFFFAOYSA-N
Canonic Smiles
Nc1sc2c(n1)c1ccccc1SC2
Isomeric Smiles
c12c(sc(n1)N)CSc1c2cccc1
Calculated Properties
JChem
Acid pKa
16.519712
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.9217932
LogD (pH = 7.4)
2.9284585
Log P
2.9285443
Molar Refractivity
61.5051
Polarizability
24.344826
Polar Surface Area
38.91
Rotatable Bonds
0
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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