COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL324971
Chemical Name: 2-(benzylamino)-5-nitrocyclohepta-2,4,6-trien-1-one
Smiles: O=c1ccc(ccc1NCc1ccccc1)[N+](=O)[O-]

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Molecular Weight: 256.26
Empirical Formula: C14H12N2O3

Physical State: Dry powder
Available Amount: 80 mg

Lipinsky:
logP: 1.046
Rotatable bonds: 1
H-donors: 1
H-acceptors: 3
PSA: 74
Number of rings: 2

     

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