COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK301740
Chemical Name: 1,2-diethoxy-4-(2-isothiocyanatoethyl)benzene
Smiles: CCOc1cc(CCN=C=S)ccc1OCC

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Molecular Weight: 251.35
Empirical Formula: C13H17NO2S

Physical State: Dry powder
Available Amount: 70 mg

Lipinsky:
logP: 4.27
Rotatable bonds: 7
H-donors: 0
H-acceptors: 2
PSA: 62
Number of rings: 1

     

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