COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL028530
Chemical Name: (4E)-4-[(2E)-3-phenylprop-2-en-1-ylidene]-1H-isochromene-1,3(4H)-dione
Smiles: O=C1OC(=O)c2c(/C/1=C\C=C\c1ccccc1)cccc2

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Molecular Weight: 276.29
Empirical Formula: C18H12O3

Physical State: Dry powder
Available Amount: 1000 mg

Lipinsky:
logP: 3.545
Rotatable bonds: 1
H-donors: 0
H-acceptors: 3
PSA: 43
Number of rings: 3

     

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