5-MeO-AET : Osobine, Reference, Literatura, Spoljašnje veze Wikipedia, slobodna enciklopedija

5-MeO-AET

Klinički podaci

AHFS/Drugs.com

Monografija

Identifikatori

CAS broj

4765-10-0

nije dodeljen

ChemSpider^[1]

21106244

Hemijski podaci

Formula

C₁₃H₁₈N₂O

Mol. masa

218,295

SMILES

eMolekuli & PubHem

InChI
InChI=1S/C13H18N2O/c1-3-10(14)6-9-8-15-13-5-4-11(16-2)7-12(9)13/h4-5,7-8,10,15H,3,6,14H2,1-2H3 Key: JHTPCKWBFLMJMQ-UHFFFAOYSA-N^Y

Fizički podaci

Tačka topljenja

201 °C (394 °F)

Farmakoinformacioni podaci

Trudnoća

Pravni status

5-MeO-AET je organsko jedinjenje, koje sadrži 13 atoma ugljenika i ima molekulsku masu od 218,295 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	2
Broj donora vodonika	2
Broj rotacionih veza	4
Particioni koeficijent^[2] (ALogP)	2,4
Rastvorljivost^[3] (logS, log(mol/L))	-3,6
Polarna površina^[4] (PSA, Å²)	51,0

↑ Hettne KM, Williams AJ, van Mulligen EM, Kleinjans J, Tkachenko V, Kors JA. (2010). „Automatic vs. manual curation of a multi-source chemical dictionary: the impact on text mining”. J Cheminform 2 (1): 3. DOI:10.1186/1758-2946-2-3. PMID 20331846. edit
↑ Ghose, A.K., Viswanadhan V.N., and 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. DOI:10.1021/ci000392t. PMID 11749573.
↑ 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. DOI:10.1021/jm000942e. PMID 11020286.

Hardman JG, Limbird LE, Gilman AG. (2001). Goodman & Gilman's The Pharmacological Basis of Therapeutics (10 izd.). New York: McGraw-Hill. DOI:10.1036/0071422803. ISBN 0-07-135469-7.
Thomas L. Lemke, David A. Williams, ur. (2007). Foye's Principles of Medicinal Chemistry (6 izd.). Baltimore: Lippincott Willams & Wilkins. ISBN 0-7817-6879-9.