Molecule

ID:57677

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₄OS₂
Molecular Mass
266.3426
Exact Mass
266.02960296
Charge
0
InChI
InChI=1S/C10H10N4OS2/c11-9-13-14-10(17-9)16-6-8(15)12-7-4-2-1-3-5-7/h1-5H,6H2,(H2,11,13)(H,12,15)
InChIKey
LZIITYOJDOSNHT-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1ccccc1)CSc1nnc(s1)N
Isomeric Smiles
s1c(nnc1N)SCC(=O)Nc1ccccc1
Calculated Properties
JChem
Acid pKa
13.582186
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.5170327
LogD (pH = 7.4)
1.5170342
Log P
1.5170344
Molar Refractivity
72.3046
Polarizability
25.983938
Polar Surface Area
80.9
Rotatable Bonds
4
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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