COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK752124
Chemical Name: (2E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-nitrophenyl)prop-2-en-1-one
Smiles: O=C(c1ccc2c(c1)OCCO2)/C=C/c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 311.29
Empirical Formula: C17H13NO5

Physical State: Dry powder
Available Amount: 5 mg

Lipinsky:
logP: 3.958
Rotatable bonds: 2
H-donors: 0
H-acceptors: 5
PSA: 81
Number of rings: 3

     

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