COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL051017
Chemical Name: {[5-(3-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetate
Smiles: CCn1c(SCC(=O)[O-])[nH+]nc1c1cccc(c1)Cl

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Molecular Weight: 297.77
Empirical Formula: C12H12ClN3O2S

Physical State: Dry powder
Available Amount: 131 mg

Lipinsky:
logP: 3.83
Rotatable bonds: 4
H-donors: 1
H-acceptors: 2
PSA: 97
Number of rings: 2

     

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