Loreklezol

Loreklezol
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	117857-45-1^Y
ATC kod	none
PubChem	CID 3034012
ChemSpider	2298566^Y
UNII	6DJ32STZ5W^Y
KEGG	D04780^Y
Hemijski podaci
Formula	C₁₀H₆Cl₃N₃
Molarna masa	274,534
SMILES Cl\C(=C/n1cncn1)\c2ccc(Cl)cc2Cl
InChI InChI=1S/C10H6Cl3N3/c11-7-1-2-8(9(12)3-7)10(13)4-16-6-14-5-15-16/h1-6H/b10-4-^Y Key:XGLHZTBDUXXHOM-WMZJFQQLSA-N^Y

Loreklezol je organsko jedinjenje, koje sadrži 10 atoma ugljenika i ima molekulsku masu od 274,534 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	2
Broj donora vodonika	0
Broj rotacionih veza	2
Particioni koeficijent^[1] (ALogP)	3,0
Rastvorljivost^[2] (logS, log(mol/L))	-5,1
Polarna površina^[3] (PSA, Å²)	30,7

^ 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.