COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL506556
Chemical Name: dimethyl(4-hydroxy-3-methoxy-5-nitrobenzylidene)propanedioate
Smiles: COC(=O)C(=Cc1cc(OC)c(c(c1)[N+](=O)[O-])O)C(=O)OC

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Molecular Weight: 311.25
Empirical Formula: C13H13NO8

Physical State: Dry powder
Available Amount: 495 mg

Lipinsky:
logP: 1.963
Rotatable bonds: 7
H-donors: 1
H-acceptors: 8
PSA: 127
Number of rings: 1

     

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