JWH-249

JWH-249
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	864445-60-3^Y
ATC kod	None
PubChem	CID 44397335
ChemSpider	23253217^Y
ChEMBL	CHEMBL363471^Y
Hemijski podaci
Formula	C₂₁H₂₂BrNO
Molarna masa	384,309
SMILES CCCCCn1cc(C(=O)Cc2ccccc2Br)c3ccccc13
InChI InChI=1S/C21H22BrNO/c1-2-3-8-13-23-15-18(17-10-5-7-12-20(17)23)21(24)14-16-9-4-6-11-19(16)22/h4-7,9-12,15H,2-3,8,13-14H2,1H3^Y Key:CGQRVOHECAULLB-UHFFFAOYSA-N^Y

JWH-249 je organsko jedinjenje, koje sadrži 21 atom ugljenika i ima molekulsku masu od 384,309 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	1
Broj donora vodonika	0
Broj rotacionih veza	7
Particioni koeficijent^[1] (ALogP)	6,3
Rastvorljivost^[2] (logS, log(mol/L))	-8,2
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.