COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK681780
Chemical Name: methyl2-(2-cyano-2-thiocyanatoethyl)benzoate
Smiles: N#CC(Cc1ccccc1C(=O)OC)SC#N

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Molecular Weight: 246.29
Empirical Formula: C12H10N2O2S

Physical State: Dry powder
Available Amount: 12 mg

Lipinsky:
logP: 2.141
Rotatable bonds: 5
H-donors: 0
H-acceptors: 2
PSA: 99
Number of rings: 1

     

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