Amfenak : Osobine, Reference, Literatura, Spoljašnje veze Википедија

Amfenak

Amfenak
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	51579-82-9^Y
ATC kod	none
PubChem	CID 2136
ChemSpider	2051^Y
UNII	28O5C1J38A^Y
KEGG	D07443^Y
ChEBI	CHEBI:75915^Y
ChEMBL	CHEMBL25146^Y
Hemijski podaci
Formula	C₁₅H₁₃NO₃
Molarna masa	255,269
SMILES Nc1c(CC(=O)O)cccc1C(=O)c2ccccc2
InChI InChI=1S/C15H13NO3/c16-14-11(9-13(17)18)7-4-8-12(14)15(19)10-5-2-1-3-6-10/h1-8H,9,16H2,(H,17,18)^Y Key:SOYCMDCMZDHQFP-UHFFFAOYSA-N^Y

Amfenak je organsko jedinjenje, koje sadrži 15 atoma ugljenika i ima molekulsku masu od 255,269 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	4
Broj donora vodonika	2
Broj rotacionih veza	4
Particioni koeficijent^[1] (ALogP)	2,2
Rastvorljivost^[2] (logS, log(mol/L))	-3,6
Polarna površina^[3] (PSA, Å²)	80,4

^ 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.