COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK035982
Chemical Name: 2-{[(2,6-dioxocyclohexylidene)methyl]amino}ethanesulfonate
Smiles: O=C1CCCC(=O)C1=CNCCS(=O)(=O)[O-]

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Saltdata: K+
Molecular Weight: 246.26
Empirical Formula: C9H12NO5S

Physical State: Dry powder
Available Amount: 307 mg

Lipinsky:
logP: -2.567
Rotatable bonds: 2
H-donors: 1
H-acceptors: 5
PSA: 111
Number of rings: 1

     

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