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5-MeO-DPT

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5-MeO-DPT
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	2427-80-7^Y
ATC kod	None
ChemSpider	14106484^Y
ChEMBL	CHEMBL169328^Y
Hemijski podaci
Formula	C₁₇H₂₆N₂O
Molarna masa	274,401
SMILES CCCN(CCC)CCc1c[nH]c2ccc(OC)cc12
InChI InChI=1S/C17H26N2O/c1-4-9-19(10-5-2)11-8-14-13-18-17-7-6-15(20-3)12-16(14)17/h6-7,12-13,18H,4-5,8-11H2,1-3H3^Y Key:PNHPVNBKLQWBKH-UHFFFAOYSA-N^Y

Fizički podaci
Tačka topljenja	193 °C (379 °F)

5-MeO-DPT jeorgansko jedinjenje, koje sadrži 17atoma ugljenika i imamolekulsku masu od 274,401Da.

Osobina	Vrednost
Broj akceptora vodonika	2
Broj donora vodonika	1
Broj rotacionih veza	8
Particioni koeficijent^[1] (ALogP)	4,2
Rastvorljivost^[2] (logS, log(mol/L))	-4,7
Polarna površina^[3] (PSA,Å²)	28,3

^Ghose, Arup K.; Viswanadhan, Vellarkad N.; Wendoloski, John J. (1998). „Prediction of Hydrophobic (Lipophilic) Properties of Small Organic Molecules Using Fragmental Methods: An Analysis of ALOGP and CLOGP Methods”.The Journal of Physical Chemistry A.102 (21): 3762—3772.Bibcode:1998JPCA..102.3762G.doi:10.1021/jp980230o.
^Tetko, Igor V.; Tanchuk, Vsevolod Yu.; Kasheva, Tamara N.; Villa, Alessandro E. P. (2001). „Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices”.Journal of Chemical Information and Computer Sciences.41 (6): 1488—1493.PMID 11749573.doi:10.1021/ci000392t.
^Ertl, Peter; Rohde, Bernhard; Selzer, Paul (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”.Journal of Medicinal Chemistry.43 (20): 3714—3717.PMID 11020286.doi:10.1021/jm000942e.