COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL026001
Chemical Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propan-1-one
Smiles: CCC(=O)c1ccc2c(c1)OCCCO2

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Molecular Weight: 206.24
Empirical Formula: C12H14O3

Physical State: Dry powder
Available Amount: 9339 mg

Lipinsky:
logP: 2.674
Rotatable bonds: 2
H-donors: 0
H-acceptors: 3
PSA: 35
Number of rings: 2

     

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