JWH-122

JWH-122
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	619294-47-2^Y
ATC kod	None
ChemSpider	24623066^Y
ChEMBL	CHEMBL557004^Y
Hemijski podaci
Formula	C₂₅H₂₅NO
Molarna masa	355,472
SMILES CCCCCn1cc(C(=O)c2ccc(C)c3ccccc23)c4ccccc14
InChI InChI=1S/C25H25NO/c1-3-4-9-16-26-17-23(21-12-7-8-13-24(21)26)25(27)22-15-14-18(2)19-10-5-6-11-20(19)22/h5-8,10-15,17H,3-4,9,16H2,1-2H3^Y Key:HUKJQMKQFWYIHS-UHFFFAOYSA-N^Y

JWH-122 je organsko jedinjenje, koje sadrži 25 atoma ugljenika i ima molekulsku masu od 355,472 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	1
Broj donora vodonika	0
Broj rotacionih veza	6
Particioni koeficijent^[1] (ALogP)	6,9
Rastvorljivost^[2] (logS, log(mol/L))	-8,9
Polarna površina^[3] (PSA, Å²)	22,0

^ Ghose, A.K.; Viswanadhan V.N. & Wendoloski, J.J. (1998). „Prediction of Hydrophobic (Lipophilic) Properties of Small Organic Molecules Using Fragment Methods: An Analysis of AlogP and CLogP Methods”. J. Phys. Chem. A. 102: 3762—3772. doi:10.1021/jp980230o.
^ Tetko IV, Tanchuk VY, Kasheva TN, Villa AE (2001). „Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices”. Chem Inf. Comput. Sci. 41: 1488—1493. PMID 11749573. doi:10.1021/ci000392t.
^ Ertl P.; Rohde B.; Selzer P. (2000). „Fast calculation of molecular polar surface area as a sum of fragment based contributions and its application to the prediction of drug transport properties”. J. Med. Chem. 43: 3714—3717. PMID 11020286. doi:10.1021/jm000942e.

Hardman JG, Limbird LE, Gilman AG (2001). Goodman & Gilman's The Pharmacological Basis of Therapeutics (10. изд.). New York: McGraw-Hill. ISBN 0071354697. doi:10.1036/0071422803.
Thomas L. Lemke; David A. Williams, ур. (2007). Foye's Principles of Medicinal Chemistry (6. изд.). Baltimore: Lippincott Willams & Wilkins. ISBN 0781768799.