Molecule

ID:60515

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂N₄O₂S₂
Molecular Mass
284.35788
Exact Mass
284.04016764
Charge
0
InChI
InChI=1S/C10H12N4O2S2/c1-7-2-4-8(5-3-7)18(15,16)12-6-9-13-14-10(11)17-9/h2-5,12H,6H2,1H3,(H2,11,14)
InChIKey
YKGREWFELUYSRN-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)S(=O)(=O)NCc1nnc(s1)N
Isomeric Smiles
S(=O)(=O)(NCc1sc(nn1)N)c1ccc(cc1)C
Calculated Properties
JChem
Acid pKa
10.381615
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
0.7443763
LogD (pH = 7.4)
0.74398255
Log P
0.74438375
Molar Refractivity
71.5983
Polarizability
26.955748
Polar Surface Area
97.97
Rotatable Bonds
3
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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