Molecule

ID:22528

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₂O₂S₂
Molecular Mass
254.3286
Exact Mass
254.01836957
Charge
0
InChI
InChI=1S/C10H10N2O2S2/c1-16(13,14)8-4-2-7(3-5-8)9-6-15-10(11)12-9/h2-6H,1H3,(H2,11,12)
InChIKey
VQEMDSRIOVZAOM-UHFFFAOYSA-N
Canonic Smiles
Nc1scc(n1)c1ccc(cc1)S(=O)(=O)C
Isomeric Smiles
n1c(scc1c1ccc(S(=O)(=O)C)cc1)N
Calculated Properties
JChem
Acid pKa
16.692219
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.3455572
LogD (pH = 7.4)
1.3605521
Log P
1.3607469
Molar Refractivity
64.2079
Polarizability
26.167799
Polar Surface Area
73.05
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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