COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL512660
Chemical Name: 8-[(1E)-3-(5-chloro-2-hydroxyphenyl)-3-oxoprop-1-en-1-yl]-4H-1,3-benzodioxine-6-carboxylicacid
Smiles: Clc1ccc(c(c1)C(=O)/C=C/c1cc(cc2c1OCOC2)C(=O)O)O

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Molecular Weight: 360.75
Empirical Formula: C18H13ClO6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.173
Rotatable bonds: 6
H-donors: 2
H-acceptors: 6
PSA: 93
Number of rings: 3

     

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