COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK955146
Chemical Name: 2-{[1-(3,4-dimethoxyphenyl)-2-nitroethyl]sulfanyl}benzoicacid
Smiles: COc1cc(ccc1OC)C(Sc1ccccc1C(=O)O)C[N+](=O)[O-]

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Molecular Weight: 363.39
Empirical Formula: C17H17NO6S

Available Amount: 0 mg

Lipinsky:
logP: 3.361
Rotatable bonds: 8
H-donors: 1
H-acceptors: 6
PSA: 126
Number of rings: 2

     

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