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5-Etil-DMT

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5-Etil-DMT
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	171783-25-8^Y
ATC kod	None
PubChem	CID10775128
ChemSpider	8950441^Y
ChEMBL	CHEMBL50492^Y
Hemijski podaci
Formula	C₁₄H₂₀N₂
Molarna masa	216,322
SMILES CCc1ccc2[nH]cc(CCN(C)C)c2c1
InChI InChI=1S/C14H20N2/c1-4-11-5-6-14-13(9-11)12(10-15-14)7-8-16(2)3/h5-6,9-10,15H,4,7-8H2,1-3H3^Y Key:ZEHXYLDGQMEYAX-UHFFFAOYSA-N^Y

5-Etil-DMT jeorgansko jedinjenje, koje sadrži 14atoma ugljenika i imamolekulsku masu od 216,322Da.

Osobina	Vrednost
Broj akceptora vodonika	1
Broj donora vodonika	1
Broj rotacionih veza	4
Particioni koeficijent^[1] (ALogP)	3,5
Rastvorljivost^[2] (logS, log(mol/L))	-3,9
Polarna površina^[3] (PSA,Å²)	19,0

^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.