

1-(3-Pyridyl)ethan-1-oneoxime
CAS:
Rif. 3D-FP150952


Informazioni sul prodotto
Nome:1-(3-Pyridyl)ethan-1-oneoxime
Marchio:Biosynth
Descrizione:1-(3-Pyridyl)ethan-1-oneoxime is a synthetic compound that has been shown to inhibit butyrylcholinesterase. The molecular electrostatic potential of this compound is calculated using the MM2 program, and it is found to be -0.17 eV. It is predicted that 1-(3-Pyridyl)ethan-1-oneoxime will interact with anions such as ClO4-. The postulated interactions are based on connectivity and the kinetics of this molecule. Interaction energies are calculated using MM2, and they are found to be -0.22 eV for the acceptor and -0.04 eV for the cholinesterases.
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Proprietà chimiche
Peso molecolare:136.15 g/mol
Formula:C7H8N2O
Purezza:Min. 95%
InChI:InChI=1S/C7H8N2O/c1-6(9-10)7-3-2-4-8-5-7/h2-5,10H,1H3/b9-6+
InChI key:InChIKey=MSRXORUOQNNOKN-RMKNXTFCSA-N
SMILES:C/C(=N\O)c1cccnc1