COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL008471
Chemical Name: (2E)-1-(1,3-benzodioxol-5-yl)-3-(dimethylamino)prop-2-en-1-one
Smiles: CN(/C=C/C(=O)c1ccc2c(c1)OCO2)C

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Molecular Weight: 219.24
Empirical Formula: C12H13NO3

Physical State: Dry powder
Available Amount: 2949 mg

Lipinsky:
logP: 1.715
Rotatable bonds: 2
H-donors: 0
H-acceptors: 3
PSA: 38
Number of rings: 2

     

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