COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL151511
Chemical Name: (2E)-3-(6-chloro-4H-1,3-benzodioxin-8-yl)-1-(2-hydroxy-5-nitrophenyl)prop-2-en-1-one
Smiles: Clc1cc(/C=C/C(=O)c2cc(ccc2O)[N+](=O)[O-])c2c(c1)COCO2

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Molecular Weight: 361.74
Empirical Formula: C17H12ClNO6

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.168
Rotatable bonds: 4
H-donors: 1
H-acceptors: 6
PSA: 101
Number of rings: 3

     

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