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AK-968/13150277 is available in 18 mg

Compound details
MDL #:		MFCD02622076
Formula:		C19 H21 N3 O4
Weight:		355.39
Salt Data:		oxalic acid
Chiral info:		Not available
Name:		1-(1,3-benzodioxol-5-ylmethyl)-4-{4-nitrobenzyl}piperazine
SMILES:		O=[N+]([O-])c1ccc(cc1)CN2CCN(CC2)Cc3ccc4OCOc4(c3)
InChI^TM:		InChI=1S/C19H21N3O4/c23-22(24)17-4-1-15(2-5-17)12-20-7-9-21(10-8-20)13-16-3-6-18-19(11-16)26-14-25-18/h1-6,11H,7-10,12-14H2
InChIKey^TM:		YBVYBXITRCVUEC-UHFFFAOYSA-N

Toxicity predictions
Rat Oral LD₅₀:		188 mg/Kg
Chronic LOAEL:		40 mg/Kg
Developmental Toxicity Potential:		0.08

Chemical properties calculations
LogP:	2.92	H-acceptors: 2
LogS:	-3.67
tPSA:	68.08 Å²	Rotatable bonds: 5

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Disclaimer: Predicted physical and biological properties, such as toxicity, mentioned on this website are indicative only and may not be relied upon in any way. Liability for damages of any kind resulting from reliance on these properties is expressly rejected.