COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK400384
Chemical Name: 3-ethoxy-4-hydroxy-2-nitrobenzonitrile
Smiles: CCOc1c(O)ccc(c1[N+](=O)[O-])C#N

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Molecular Weight: 208.17
Empirical Formula: C9H8N2O4

Physical State: Dry powder
Available Amount: 63 mg

Lipinsky:
logP: 1.976
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 99
Number of rings: 1

     

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