Acedapson

Acedapson
Klinički podaci
Drugs.com	Monografija
Identifikatori
CAS broj	77-46-3
ATC kod	none
PubChem	CID 6477
ChemSpider	6232
UNII	0GZ72U84TN
KEGG	D02751
ChEMBL	CHEMBL154166
Hemijski podaci
Formula	C16H16N2O4S
Molarna masa	332,374
	SMILES C\C(=N/c1ccc(cc1)S(=O)(=O)c2ccc(cc2)\N=C(/C)\O)\O; ;
	InChI InChI=1S/C16H16N2O4S/c1-11(19)17-13-3-7-15(8-4-13)23(21,22)16-9-5-14(6-10-16)18-12(2)20/h3-10H,1-2H3,(H,17,19)(H,18,20) ; Key:AMTPYFGPPVFBBI-UHFFFAOYSA-N ;
Fizički podaci
Tačka topljenja	290 °C (554 °F)

Acedapson je organsko jedinjenje, koje sadrži 16 atoma ugljenika i ima molekulsku masu od 332,374 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	6
Broj donora vodonika	2
Broj rotacionih veza	4
Particioni koeficijent^[1] (ALogP)	2,5
Rastvorljivost^[2] (logS, log(mol/L))	-4,7
Polarna površina^[3] (PSA, Å²)	107,7

^ 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.