COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK502555
Chemical Name: 5-isocyanato-1,3-benzodioxole
Smiles: O=C=Nc1ccc2c(c1)OCO2

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Molecular Weight: 163.13
Empirical Formula: C8H5NO3

Physical State: Dry powder
Available Amount: 117 mg

Lipinsky:
logP: 1.994
Rotatable bonds: 0
H-donors: 0
H-acceptors: 3
PSA: 47
Number of rings: 2

     

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