COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL058839
Chemical Name: (2E,4E)-3-methyl-4-(4-nitrobenzylidene)pent-2-enedioate
Smiles: [O-]C(=O)/C=C(/C(=C\c1ccc(cc1)[N+](=O)[O-])/C(=O)[O-])\C

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Saltdata: 2Na+
Molecular Weight: 275.22
Empirical Formula: C13H9NO6

Physical State: Dry powder
Available Amount: 322 mg

Lipinsky:
logP: 2.279
Rotatable bonds: 1
H-donors: 0
H-acceptors: 6
PSA: 126
Number of rings: 1

     

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