COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK580370
Chemical Name: 3-methyl-4-{[(E)-(2-oxocyclohexylidene)methyl]ammonio}benzoate
Smiles: O=C1CCCC/C/1=C\[NH2+]c1ccc(cc1C)C(=O)[O-]

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Molecular Weight: 259.3
Empirical Formula: C15H17NO3

Physical State: Dry powder
Available Amount: 140 mg

Lipinsky:
logP: 2.591
Rotatable bonds: 0
H-donors: 2
H-acceptors: 3
PSA: 73
Number of rings: 2

     

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