COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL570007
Chemical Name: 4-({[4-ammonio-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate
Smiles: Clc1ccccc1c1nnc(n1[NH3+])SCc1ccc(cc1)C(=O)[O-]

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Molecular Weight: 360.82
Empirical Formula: C16H13ClN4O2S

Available Amount: 0 mg

Lipinsky:
logP: 3.976
Rotatable bonds: 3
H-donors: 3
H-acceptors: 2
PSA: 123
Number of rings: 3

     

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