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AG-690/40081989 is available in 26 mg

Compound details
MDL #:		MFCD00545973
Formula:		C12 H17 N3 O2
Weight:		235.29
Salt Data:		HCl
Chiral info:		Not available
Name:		1-{2-nitrophenyl}-3,5-dimethylpiperazine
SMILES:		CC1CN(CC(C)N1)c2ccccc2[N+](=O)[O-]
InChI^TM:		InChI=1S/C12H17N3O2/c1-9-7-14(8-10(2)13-9)11-5-3-4-6-12(11)15(16)17/h3-6,9-10,13H,7-8H2,1-2H3
InChIKey^TM:		WJUYWKJVECSDQD-UHFFFAOYSA-N

Toxicity predictions
Rat Oral LD₅₀:		329 mg/Kg
Chronic LOAEL:		3.37 mg/Kg

Chemical properties calculations
LogP:	2.2	H-acceptors: 2
LogS:	-2.18	H-donors: 1
tPSA:	58.41 Å²	Rotatable bonds: 2

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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.