COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK562682
Chemical Name: (7E)-7-[(4-methylphenyl)iminio]-4-nitrocyclohepta-1,3,5-trien-1-olate
Smiles: Cc1ccc(cc1)/[NH+]=c/1\ccc(ccc1[O-])[N+](=O)[O-]

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Molecular Weight: 256.26
Empirical Formula: C14H12N2O3

Physical State: Dry powder
Available Amount: 80 mg

Lipinsky:
logP: 1.489
Rotatable bonds: 0
H-donors: 1
H-acceptors: 3
PSA: 82
Number of rings: 2

     

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