COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL007253
Chemical Name: methyl6-isothiocyanato-1,3-benzodioxole-5-carboxylate
Smiles: S=C=Nc1cc2OCOc2cc1C(=O)OC

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Molecular Weight: 237.24
Empirical Formula: C10H7NO4S

Available Amount: 0 mg

Lipinsky:
logP: 2.985
Rotatable bonds: 2
H-donors: 0
H-acceptors: 4
PSA: 89
Number of rings: 2

     

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