COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL037664
Chemical Name: 6-isocyanato-2,3-dihydro-1,4-benzodioxine
Smiles: O=C=Nc1ccc2c(c1)OCCO2

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Molecular Weight: 177.161
Empirical Formula: C9H7NO3

Physical State: Dry powder
Available Amount: 1000 mg

Lipinsky:
logP: 2.352
Rotatable bonds: 0
H-donors: 0
H-acceptors: 3
PSA: 47
Number of rings: 2

     

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