Molecule

ID:124355

General Information
Structure
MolImage
Molecular Formula
C₉H₉N₃O₂S₂
Molecular Mass
255.31666
Exact Mass
255.01361854
Charge
0
InChI
InChI=1S/C9H9N3O2S2/c10-7-2-1-3-8(6-7)16(13,14)12-9-11-4-5-15-9/h1-6H,10H2,(H,11,12)
InChIKey
SJBMOWNPZUTOKD-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1)S(=O)(=O)Nc1nccs1
Isomeric Smiles
S(=O)(=O)(Nc1nccs1)c1cc(N)ccc1
Calculated Properties
JChem
Acid pKa
6.73633
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.95321375
LogD (pH = 7.4)
0.4095527
Log P
0.9750279
Molar Refractivity
62.2723
Polarizability
24.194788
Polar Surface Area
85.08
Rotatable Bonds
2
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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