COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK342721
Chemical Name: N-[3-(3-chlorophenoxy)-5-nitrophenyl]-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide
Smiles: Clc1cccc(c1)Oc1cc(NC(=O)Cn2cnc(n2)[N+](=O)[O-])cc(c1)[N+](=O)[O-]

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Molecular Weight: 418.75
Empirical Formula: C16H11ClN6O6

Physical State: Dry powder
Available Amount: 228 mg

Lipinsky:
logP: 4.132
Rotatable bonds: 4
H-donors: 1
H-acceptors: 6
PSA: 160
Number of rings: 3

     

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