COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL291101
Chemical Name: 4-[(2-hydroxyethyl)sulfanyl]-3-nitrobenzaldehyde
Smiles: OCCSc1ccc(cc1[N+](=O)[O-])C=O

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Molecular Weight: 227.24
Empirical Formula: C9H9NO4S

Physical State: Dry powder
Available Amount: 1500 mg

Lipinsky:
logP: 2.067
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 108
Number of rings: 1

     

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