Euflavin

Euflavin
Klinički podaci
Drugs.com	Monografija
Identifikatori
CAS broj	68518-47-8^Y
ATC kod	D08AA03 (WHO)
PubChem	CID 452192
ChemSpider	NA^Y
UNII	1TW3Q60E36^Y
Hemijski podaci
Formula	C₂₇H₂₅N₆
Molarna masa	433,528
SMILES C[n+]1c2cc(N)ccc2cc3ccc(N)cc13.Nc4ccc5cc6ccc(N)cc6nc5c4
InChI InChI=1S/C14H13N3.C13H11N3/c1-17-13-7-11(15)4-2-9(13)6-10-3-5-12(16)8-14(10)17;14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10/h2-8H,1H3,(H3,15,16);1-7H,14-15H2/p+1^Y Key:BCBIBQWDFMQRSJ-UHFFFAOYSA-O^Y

Euflavin je organsko jedinjenje, koje sadrži 27 atoma ugljenika i ima molekulsku masu od 433,528 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	5
Broj donora vodonika	4
Broj rotacionih veza	0
Particioni koeficijent^[1] (ALogP)	4,2
Rastvorljivost^[2] (logS, log(mol/L))	-9,5
Polarna površina^[3] (PSA, Å²)	120,8

^ 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.