COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK760998
Chemical Name: ethyl(2E)-3-(methylsulfanyl)-2-nitro-3-(phenylamino)prop-2-enoate
Smiles: CCOC(=O)/C(=C(/Nc1ccccc1)\SC)/[N+](=O)[O-]

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Molecular Weight: 282.32
Empirical Formula: C12H14N2O4S

Physical State: Dry powder
Available Amount: 3 mg

Lipinsky:
logP: 1.584
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 109
Number of rings: 1

     

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