Fenbufen

Fenbufen
Klinički podaci


Drugs.com	Monografija
Identifikatori
CAS broj	36330-85-5^Y
ATC kod	M01AE05 (WHO)
PubChem	CID 3335
ChemSpider	3218^Y
UNII	9815R1WR9B^Y
KEGG	D01344^Y
ChEBI	CHEBI:31599^Y
ChEMBL	CHEMBL277522^Y
Hemijski podaci
Formula	C₁₆H₁₄O₃
Molarna masa	254,281
SMILES OC(=O)CCC(=O)c1ccc(cc1)c2ccccc2
InChI InChI=1S/C16H14O3/c17-15(10-11-16(18)19)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9H,10-11H2,(H,18,19)^Y Key:ZPAKPRAICRBAOD-UHFFFAOYSA-N^Y

Fenbufen je organsko jedinjenje, koje sadrži 16 atoma ugljenika i ima molekulsku masu od 254,281 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	3
Broj donora vodonika	1
Broj rotacionih veza	5
Particioni koeficijent^[1] (ALogP)	2,9
Rastvorljivost^[2] (logS, log(mol/L))	-4,4
Polarna površina^[3] (PSA, Å²)	54,4

^ 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.