COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK400342
Chemical Name: ethyl(2Z)-2-cyano-3-(5-ethyl-4-nitrothiophen-2-yl)prop-2-enoate
Smiles: CCOC(=O)/C(=C\c1cc(c(s1)CC)[N+](=O)[O-])/C#N

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Molecular Weight: 280.3
Empirical Formula: C12H12N2O4S

Physical State: Dry powder
Available Amount: 12 mg

Lipinsky:
logP: 2.987
Rotatable bonds: 5
H-donors: 0
H-acceptors: 4
PSA: 124
Number of rings: 1

     

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