COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK056441
Chemical Name: 2-(3-ethynylphenyl)-5-nitro-1H-isoindole-1,3(2H)-dione
Smiles: C#Cc1cccc(c1)N1C(=O)c2c(C1=O)cc(cc2)[N+](=O)[O-]

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Molecular Weight: 292.25
Empirical Formula: C16H8N2O4

Physical State: Dry powder
Available Amount: 64 mg

Lipinsky:
logP: 2.312
Rotatable bonds: 0
H-donors: 0
H-acceptors: 4
PSA: 83
Number of rings: 3

     

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