6-APDB

6-APDB
Klinički podaci
Drugs.com	Monografija
Identifikatori
CAS broj	152623-93-3
ATC kod	none
PubChem	CID 192599
ChemSpider	167141
ChEMBL	CHEMBL124055
Hemijski podaci
Formula	C11H15NO
Molarna masa	177,243
	SMILES CC(N)Cc1ccc2CCOc2c1; ;
	InChI InChI=1S/C11H15NO/c1-8(12)6-9-2-3-10-4-5-13-11(10)7-9/h2-3,7-8H,4-6,12H2,1H3 ; Key:VRNGXHJGMCJRSQ-UHFFFAOYSA-N ;

6-APDB je organsko jedinjenje, koje sadrži 11 atoma ugljenika i ima molekulsku masu od 177,243 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	2
Broj donora vodonika	1
Broj rotacionih veza	2
Particioni koeficijent^[1] (ALogP)	1,7
Rastvorljivost^[2] (logS, log(mol/L))	-2,7
Polarna površina^[3] (PSA, Å²)	35,3

^ 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.