COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK027059
Chemical Name: 2-[(2-cyano-5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino]ethanesulfonate
Smiles: N#CC1=C(NCCS(=O)(=O)[O-])CC(CC1=O)(C)C

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Saltdata: K+
Molecular Weight: 271.32
Empirical Formula: C11H15N2O4S

Available Amount: 0 mg

Lipinsky:
logP: -0.873
Rotatable bonds: 2
H-donors: 1
H-acceptors: 4
PSA: 118
Number of rings: 1

     

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