COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK773273
Chemical Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-nitro-1H-1,2,4-triazole
Smiles: [O-][N+](=O)c1ncn(n1)Cc1ccc2c(c1)OCO2

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Molecular Weight: 248.2
Empirical Formula: C10H8N4O4

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 0.917
Rotatable bonds: 2
H-donors: 0
H-acceptors: 4
PSA: 94
Number of rings: 3

     

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