COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK289357
Chemical Name: 4-[(E)-2-carboxy-2-cyanoethenyl]benzoicacid
Smiles: N#C/C(=C\c1ccc(cc1)C(=O)O)/C(=O)O

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Molecular Weight: 217.18
Empirical Formula: C11H7NO4

Physical State: Dry powder
Available Amount: 355 mg

Lipinsky:
logP: 1.544
Rotatable bonds: 3
H-donors: 2
H-acceptors: 4
PSA: 98
Number of rings: 1

     

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