COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK501369
Chemical Name: 5-nitro-2-{[4-(1H-1,2,4-triazol-1-ylmethyl)phenyl]amino}benzonitrile
Smiles: N#Cc1cc(ccc1Nc1ccc(cc1)Cn1cncn1)[N+](=O)[O-]

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Molecular Weight: 320.31
Empirical Formula: C16H12N6O2

Available Amount: 0 mg

Lipinsky:
logP: 2.196
Rotatable bonds: 1
H-donors: 1
H-acceptors: 2
PSA: 112
Number of rings: 3

     

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