Molecule

ID:34196

General Information
Structure
MolImage
Molecular Formula
C₉H₈N₄O₂S₂
Molecular Mass
268.31542
Exact Mass
268.00886752
Charge
0
InChI
InChI=1S/C9H8N4O2S2/c1-13-5-4-11-9(10)12-7(5)8-6(2-3-16-8)17(13,14)15/h2-4H,1H3,(H2,10,11,12)
InChIKey
QRKRFOYWUKSZNK-UHFFFAOYSA-N
Canonic Smiles
Nc1ncc2c(n1)c1sccc1S(=O)(=O)N2C
Isomeric Smiles
s1ccc2c1c1c(N(S2(=O)=O)C)cnc(n1)N
Calculated Properties
JChem
Acid pKa
17.499166
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
0.44772902
LogD (pH = 7.4)
0.44791245
Log P
0.44791478
Molar Refractivity
64.6937
Polarizability
25.773031
Polar Surface Area
89.18
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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