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AJ-738/25015479 is available in 15962 mg

Compound details
MDL #:		MFCD00005013
Formula:		C11 H14 N2 O
Weight:		190.24
Chiral info:		Compound is marked as Chiral
Name:		7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-6-one
SMILES:		O=C2C=CC=C3C1CNCC(C1)CN23
InChI^TM:		InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2
InChIKey^TM:		ANJTVLIZGCUXLD-UHFFFAOYSA-N

Toxicity predictions
Rat Oral LD₅₀:		0.028 mg/Kg
Chronic LOAEL:		11.9 mg/Kg

Chemical properties calculations
LogP:	0.6	H-acceptors: 3
LogS:	-1.1	H-donors: 1
tPSA:	32.34 Å²	Rotatable bonds: 0

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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.