COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK369523
Chemical Name: 2,4-dinitro-N-{(E)-[4-(phenylethynyl)phenyl]methylidene}aniline
Smiles: [O-][N+](=O)c1cc(ccc1/N=C/c1ccc(cc1)C#Cc1ccccc1)[N+](=O)[O-]

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Molecular Weight: 371.35
Empirical Formula: C21H13N3O4

Physical State: Dry powder
Available Amount: 77 mg

Lipinsky:
logP: 6.319
Rotatable bonds: 0
H-donors: 0
H-acceptors: 4
PSA: 104
Number of rings: 3

     

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