COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK001727
Chemical Name: (2E)-1-(6-amino-1,3-benzodioxol-5-yl)-3-(3-nitrophenyl)prop-2-en-1-one
Smiles: O=C(c1cc2OCOc2cc1N)/C=C/c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 312.28
Empirical Formula: C16H12N2O5

Physical State: Dry powder
Available Amount: 77 mg

Lipinsky:
logP: 3.067
Rotatable bonds: 3
H-donors: 2
H-acceptors: 5
PSA: 107
Number of rings: 3

     

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