Kvazinon

Kvazinon
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	70018-51-8^Y
ATC kod	none
PubChem	CID 6603980
ChemSpider	5036286^Y
UNII	D1Q7F6C2FP^Y
KEGG	D05668^Y
Sinonimi	Ro 13-6438
Hemijski podaci
Formula	C₁₁H₁₀ClN₃O
Molarna masa	235,670
SMILES C[C@H]1N2Cc3c(Cl)cccc3NC2=NC1=O
InChI InChI=1S/C11H10ClN3O/c1-6-10(16)14-11-13-9-4-2-3-8(12)7(9)5-15(6)11/h2-4,6H,5H2,1H3,(H,13,14,16)/t6-/m1/s1^Y Key:BHZFZYLBVSWUMT-ZCFIWIBFSA-N^Y

Kvazinon je organsko jedinjenje, koje sadrži 11 atoma ugljenika i ima molekulsku masu od 235,670 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	4
Broj donora vodonika	1
Broj rotacionih veza	0
Particioni koeficijent^[1] (ALogP)	1,8
Rastvorljivost^[2] (logS, log(mol/L))	-2,3
Polarna površina^[3] (PSA, Å²)	44,7

^ 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.