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AE-641/00012050 is available in 21944 mg

Compound details
MDL #:		MFCD00023120
Formula:		C12 H17 N O2
Weight:		207.27
Chiral info:		Not available
Name:		1-(5-acetyl-2,4,6-trimethyl-1,4-dihydro-3-pyridinyl)ethanone
SMILES:		CC(=O)C1=C(C)NC(C)=C(C(C)=O)C1(C)
InChI^TM:		InChI=1S/C12H17NO2/c1-6-11(9(4)14)7(2)13-8(3)12(6)10(5)15/h6,13H,1-5H3
InChIKey^TM:		BFHJJFUZJSTSBY-UHFFFAOYSA-N

Chemical properties calculations
LogP:	0.83	H-acceptors: 3
LogS:	-0.41	H-donors: 1
tPSA:	46.17 Å²	Rotatable bonds: 2

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