Molecule

ID:22530

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)9-8(12-10(11)15-9)7-5-3-2-4-6-7/h2-6H,1H3,(H2,11,12)
InChIKey
MENYNNGOWMJUEG-UHFFFAOYSA-N
Canonic Smiles
Nc1nc(c(s1)S(=O)(=O)C)c1ccccc1
Isomeric Smiles
s1c(nc(c1S(=O)(=O)C)c1ccccc1)N
Calculated Properties
JChem
Acid pKa
14.6473055
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.526725
LogD (pH = 7.4)
1.5267426
Log P
1.5267428
Molar Refractivity
63.3678
Polarizability
26.20368
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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