COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL146993
Chemical Name: N-ethyl-N-[4-(4-nitrophenyl)-1,3-dithiol-2-ylidene]ethanaminium
Smiles: CC[N+](=c1scc(s1)c1ccc(cc1)[N+](=O)[O-])CC

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Saltdata: Cl-
Molecular Weight: 295.41
Empirical Formula: C13H15N2O2S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 0
Rotatable bonds: 2
H-donors: 0
H-acceptors: 2
PSA: 99
Number of rings: 2

     

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