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AF-399/25108008 is available in 4934 mg

Compound details
MDL #:		MFCD03001369
Formula:		C12 H16 N4 S
Weight:		248.35
Chiral info:		Not available
Name:		2-pyridin-2-ylcyclohexanone thiosemicarbazone
SMILES:		NC(NN=C2CCCCC2(c1ccccn1))=S
InChI^TM:		InChI=1S/C12H16N4S/c13-12(17)16-15-11-7-2-1-5-9(11)10-6-3-4-8-14-10/h3-4,6,8-9H,1-2,5,7H2,(H3,13,16,17)
InChIKey^TM:		HIOOQWNERNJXSZ-UHFFFAOYSA-N

Chemical properties calculations
LogP:	3.73	H-acceptors: 4
LogS:	-2.9	H-donors: 2
tPSA:	95.39 Å²	Rotatable bonds: 3

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