Molecule

ID:84580

General Information
Structure
MolImage
Molecular Formula
C₆H₄N₂S₂
Molecular Mass
168.23936
Exact Mass
167.98159014
Charge
0
InChI
InChI=1S/C6H4N2S2/c9-6-8-4-2-1-3-7-5(4)10-6/h1-3H,(H,8,9)
InChIKey
WITYIAHCBUYCSY-UHFFFAOYSA-N
Canonic Smiles
Sc1nc2c(s1)nccc2
Isomeric Smiles
s1c(nc2cccnc12)S
Calculated Properties
JChem
Acid pKa
7.1848965
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.0321734
LogD (pH = 7.4)
1.6448725
Log P
2.0407186
Molar Refractivity
42.4075
Polarizability
17.13781
Polar Surface Area
25.78
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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