Specs - Compound Management services and Research Compounds for the Life Science industry

Specs ID search result

AF-399/25108051 is available in 8883 mg

Compound details
MDL #:		MFCD01829197
Formula:		C14 H9 N O3
Weight:		239.23
Chiral info:		Not available
Name:		4-oxo-1,4-dihydrobenzo[h]quinoline-3-carboxylic acid
SMILES:		OC(=O)C1=CNc2c3ccccc3(ccc2(C1(=O)))
InChI^TM:		InChI=1S/C14H9NO3/c16-13-10-6-5-8-3-1-2-4-9(8)12(10)15-7-11(13)14(17)18/h1-7H,(H,15,16)(H,17,18)
InChIKey^TM:		QGOKEDVMXJBTAR-UHFFFAOYSA-N

Toxicity predictions
Rat Oral LD₅₀:		387 mg/Kg
Chronic LOAEL:		535 mg/Kg
Developmental Toxicity Potential:		1

Chemical properties calculations
LogP:	1.78	H-acceptors: 4
LogS:	-2.07	H-donors: 2
tPSA:	66.4 Å²	Rotatable bonds: 1

Purchase 10 mg of AF-399/25108051 for only 26 USD after login to Specs.net! Receive your compounds in clear glass vials within 5 working days after ordering via Specs.net. Please logon to Specs.net using your personal account or register as new user here.

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.