5-HO-DiPT : Osobine, Reference, Literatura, Spoljašnje veze Википедија

5-HO-DiPT

5-HO-DiPT
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	36288-76-3^Y
ATC kod	None
PubChem	CID 71360804
Hemijski podaci
Formula	C₁₆H₂₄N₂O
Molarna masa	260,375
SMILES CC(C)N(CCc1c[nH]c2ccc(O)cc12)C(C)C
InChI InChI=1S/C16H24N2O/c1-11(2)18(12(3)4)8-7-13-10-17-16-6-5-14(19)9-15(13)16/h5-6,9-12,17,19H,7-8H2,1-4H3^Y Key:HWOLNTJLIUHEOG-UHFFFAOYSA-N^Y

5-HO-DiPT je organsko jedinjenje, koje sadrži 16 atoma ugljenika i ima molekulsku masu od 260,375 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	2
Broj donora vodonika	2
Broj rotacionih veza	5
Particioni koeficijent^[1] (ALogP)	3,7
Rastvorljivost^[2] (logS, log(mol/L))	-3,6
Polarna površina^[3] (PSA, Å²)	39,3

^ 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.