Adrenalon

Adrenalon
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	99-45-6^Y
ATC kod	A01AD06 (WHO) B02BC05
PubChem	CID 7436
ChemSpider	7158^Y
UNII	EGU41QL329^Y
KEGG	D02774^Y
Hemijski podaci
Formula	C₉H₁₁NO₃
Molarna masa	181,189
SMILES CNCC(=O)c1ccc(O)c(O)c1
InChI InChI=1S/C9H11NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,10-12H,5H2,1H3^Y Key:PZMVOUYYNKPMSI-UHFFFAOYSA-N^Y

Fizički podaci
Tačka topljenja	235 °C (455 °F)

Adrenalon je organsko jedinjenje, koje sadrži 9 atoma ugljenika i ima molekulsku masu od 181,189 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	4
Broj donora vodonika	3
Broj rotacionih veza	3
Particioni koeficijent^[1] (ALogP)	0,6
Rastvorljivost^[2] (logS, log(mol/L))	-1,1
Polarna površina^[3] (PSA, Å²)	69,6

^ 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.