COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK094459
Chemical Name: 1-benzyl-4-[2-(2,4-dichlorophenyl)-2-oxoethyl]-1H-1,2,4-triazol-4-ium
Smiles: Clc1ccc(c(c1)Cl)C(=O)C[n+]1cnn(c1)Cc1ccccc1

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Saltdata: Br-
Molecular Weight: 347.22
Empirical Formula: C17H14Cl2N3O

Physical State: Dry powder
Available Amount: 342 mg

Lipinsky:
logP: 0
Rotatable bonds: 4
H-donors: 0
H-acceptors: 1
PSA: 38
Number of rings: 3

     

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