COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL191181
Chemical Name: (2E)-4-oxo-4-[4-(propan-2-yl)phenyl]but-2-enoicacid
Smiles: CC(c1ccc(cc1)C(=O)/C=C/C(=O)O)C

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Molecular Weight: 218.25
Empirical Formula: C13H14O3

Physical State: Dry powder
Available Amount: 97 mg

Lipinsky:
logP: 2.931
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 54
Number of rings: 1

     

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