COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL349529
Chemical Name: (2E,4E)-3-methyl-4-(4-nitrobenzylidene)pent-2-enedioicacid
Smiles: OC(=O)/C=C(/C(=C\c1ccc(cc1)[N+](=O)[O-])/C(=O)O)\C

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Molecular Weight: 277.23
Empirical Formula: C13H11NO6

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 2.279
Rotatable bonds: 5
H-donors: 2
H-acceptors: 6
PSA: 120
Number of rings: 1

     

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