Brofaromin : Osobine, Reference, Literatura, Spoljašnje veze Википедија

Brofaromin

Brofaromin
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	63638-91-5^Y
ATC kod	none
PubChem	CID 44571
ChemSpider	40549^Y
UNII	6WV4B8Q07H^Y
KEGG	D02560^Y
ChEMBL	CHEMBL160347^Y
Hemijski podaci
Formula	C₁₄H₁₆BrNO₂
Molarna masa	310,186
SMILES COc1cc(Br)c2oc(cc2c1)C3CCNCC3
InChI InChI=1S/C14H16BrNO2/c1-17-11-6-10-7-13(9-2-4-16-5-3-9)18-14(10)12(15)8-11/h6-9,16H,2-5H2,1H3^Y Key:WZXHSWVDAYOFPE-UHFFFAOYSA-N^Y

Brofaromin je organsko jedinjenje, koje sadrži 14 atoma ugljenika i ima molekulsku masu od 310,186 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	2
Broj donora vodonika	1
Broj rotacionih veza	2
Particioni koeficijent^[1] (ALogP)	3,1
Rastvorljivost^[2] (logS, log(mol/L))	-5,3
Polarna površina^[3] (PSA, Å²)	34,4

^ 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.