COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK534504
Chemical Name: 2-[(E)-2-(benzylamino)-1-nitroethenyl]cyclohexa-2,5-diene-1,4-dione
Smiles: O=C1C=CC(=O)C=C1/C(=C\NCc1ccccc1)/[N+](=O)[O-]

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Molecular Weight: 284.27
Empirical Formula: C15H12N2O4

Physical State: Dry powder
Available Amount: 210 mg

Lipinsky:
logP: 1.933
Rotatable bonds: 2
H-donors: 1
H-acceptors: 4
PSA: 91
Number of rings: 2

     

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