COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK102654
Chemical Name: ethyl5-nitro-1-benzothiophene-2-carboxylate
Smiles: CCOC(=O)c1cc2c(s1)ccc(c2)[N+](=O)[O-]

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Molecular Weight: 251.26
Empirical Formula: C11H9NO4S

Physical State: Dry powder
Available Amount: 579 mg

Lipinsky:
logP: 3.354
Rotatable bonds: 3
H-donors: 0
H-acceptors: 4
PSA: 100
Number of rings: 2

     

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