COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL027970
Chemical Name: 5-(isothiocyanatomethyl)-1,3-benzodioxole
Smiles: S=C=NCc1ccc2c(c1)OCO2

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Molecular Weight: 193.23
Empirical Formula: C9H7NO2S

Physical State: Dry powder
Available Amount: 1000 mg

Lipinsky:
logP: 2.876
Rotatable bonds: 2
H-donors: 0
H-acceptors: 2
PSA: 62
Number of rings: 2

     

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