COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL043187
Chemical Name: (2Z,4E)-3-methyl-5-(4-nitrophenyl)penta-2,4-dienoate
Smiles: [O-]C(=O)/C=C(\C=C\c1ccc(cc1)[N+](=O)[O-])/C

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Saltdata: Na+
Molecular Weight: 232.22
Empirical Formula: C12H10NO4

Physical State: Dry powder
Available Amount: 74 mg

Lipinsky:
logP: 2.538
Rotatable bonds: 1
H-donors: 0
H-acceptors: 4
PSA: 85
Number of rings: 1

     

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