COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK753862
Chemical Name: 4-{(E)-[(3-methylphenyl)imino]methyl}phenyl3,5-dinitrobenzoate
Smiles: Cc1cccc(c1)/N=C/c1ccc(cc1)OC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]

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Molecular Weight: 405.37
Empirical Formula: C21H15N3O6

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.699
Rotatable bonds: 1
H-donors: 0
H-acceptors: 6
PSA: 130
Number of rings: 3

     

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