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AG-690/13701074 is available in 59 mg

Compound details
MDL #:		MFCD01816928
Formula:		C15 H21 Cl N2 O
Weight:		280.8
Salt Data:		HCl
Chiral info:		Not available
Name:		3-(1-azepanyl)-N-(4-chlorophenyl)propanamide
SMILES:		O=C(CCN1CCCCCC1)Nc2ccc(cc2)Cl
InChI^TM:		InChI=1S/C15H21ClN2O/c16-13-5-7-14(8-6-13)17-15(19)9-12-18-10-3-1-2-4-11-18/h5-8H,1-4,9-12H2,(H,17,19)
InChIKey^TM:		NERUSDIYICYLPA-UHFFFAOYSA-N

Toxicity predictions
Rat Oral LD₅₀:		963 mg/Kg
Chronic LOAEL:		12.7 mg/Kg
Developmental Toxicity Potential:		0.75

Chemical properties calculations
LogP:	3.29	H-acceptors: 3
LogS:	-4.06	H-donors: 1
tPSA:	32.34 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.