Flunoksaprofen : Osobine, Reference, Literatura, Spoljašnje veze Википедија

Flunoksaprofen

Flunoksaprofen
Klinički podaci


Drugs.com	Monografija
Identifikatori
CAS broj	66934-18-7^Y
ATC kod	G02CC04 (WHO) M01AE15
PubChem	CID 68869
UNII	UKU5U19W9M^Y
KEGG	D07219^Y
ChEMBL	CHEMBL1614641^Y
Hemijski podaci
Formula	C₁₆H₁₂FNO₃
Molarna masa	285,270
SMILES C[C@H](C(=O)O)c1ccc2oc(nc2c1)c3ccc(F)cc3
InChI InChI=1S/C16H12FNO3/c1-9(16(19)20)11-4-7-14-13(8-11)18-15(21-14)10-2-5-12(17)6-3-10/h2-9H,1H3,(H,19,20)/t9-/m0/s1^Y Key:ARPYQKTVRGFPIS-VIFPVBQESA-N^Y

Flunoksaprofen je organsko jedinjenje, koje sadrži 16 atoma ugljenika i ima molekulsku masu od 285,270 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	3
Broj donora vodonika	1
Broj rotacionih veza	3
Particioni koeficijent^[1] (ALogP)	3,6
Rastvorljivost^[2] (logS, log(mol/L))	-5,0
Polarna površina^[3] (PSA, Å²)	63,3

^ 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.