Tolfenaminska kiselina : Osobine, Reference, Literatura, Spoljašnje veze Википедија

Tolfenaminska kiselina

Tolfenaminska kiselina
Klinički podaci

Drugs.com	acid.html Monografija
Identifikatori
CAS broj	13710-19-5^Y
ATC kod	M01AG02 (WHO)
PubChem	CID 610479
ChemSpider	530683^Y
UNII	3G943U18KM^Y
KEGG	D01183^Y
ChEMBL	CHEMBL121626^Y
Hemijski podaci
Formula	C₁₄H₁₂ClNO₂
Molarna masa	261,704
SMILES Cc1c(Cl)cccc1Nc2ccccc2C(=O)O
InChI InChI=1S/C14H12ClNO2/c1-9-11(15)6-4-8-12(9)16-13-7-3-2-5-10(13)14(17)18/h2-8,16H,1H3,(H,17,18)^Y Key:YEZNLOUZAIOMLT-UHFFFAOYSA-N^Y

Tolfenaminska kiselina je organsko jedinjenje, koje sadrži 14 atoma ugljenika i ima molekulsku masu od 261,704 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	3
Broj donora vodonika	2
Broj rotacionih veza	3
Particioni koeficijent^[1] (ALogP)	4,2
Rastvorljivost^[2] (logS, log(mol/L))	-4,6
Polarna površina^[3] (PSA, Å²)	49,3

^ 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.