COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL290461
Chemical Name: (2E)-2-(3-hydroxybenzylidene)butanedioicacid
Smiles: OC(=O)C/C(=C\c1cccc(c1)O)/C(=O)O

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Molecular Weight: 222.2
Empirical Formula: C11H10O5

Physical State: Dry powder
Available Amount: 127 mg

Lipinsky:
logP: 2.178
Rotatable bonds: 7
H-donors: 3
H-acceptors: 5
PSA: 94
Number of rings: 1

     

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