COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK731141
Chemical Name: 4-carboxy-N-[(1E)-2-(4,4,5,5-tetramethyl-1,3-dioxolan-2-ylidene)ethylidene]anilinium
Smiles: OC(=O)c1ccc(cc1)/[NH+]=C/C=C1OC(C(O1)(C)C)(C)C

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Saltdata: BF4-
Molecular Weight: 290.34
Empirical Formula: C16H20NO4

Physical State: Dry powder
Available Amount: 314 mg

Lipinsky:
logP: 4.262
Rotatable bonds: 2
H-donors: 2
H-acceptors: 4
PSA: 69
Number of rings: 2

     

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