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5-Fluoro-AMT

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5-Fluoro-AMT
Klinički podaci


Drugs.com	Monografija
Identifikatori
CAS broj	712-08-3^Y
ATC kod	None
PubChem	CID12834
ChemSpider	12304^Y
ChEMBL	CHEMBL96816^Y
Hemijski podaci
Formula	C₁₁H₁₃FN₂
Molarna masa	192,233
SMILES CC(N)Cc1c[nH]c2ccc(F)cc12
InChI InChI=1S/C11H13FN2/c1-7(13)4-8-6-14-11-3-2-9(12)5-10(8)11/h2-3,5-7,14H,4,13H2,1H3^Y Key:CTGFDWBZMCPVED-UHFFFAOYSA-N^Y

5-Fluoro-AMT jeorgansko jedinjenje, koje sadrži 11atoma ugljenika i imamolekulsku masu od 192,233Da.

Osobina	Vrednost
Broj akceptora vodonika	1
Broj donora vodonika	2
Broj rotacionih veza	2
Particioni koeficijent^[1] (ALogP)	2,1
Rastvorljivost^[2] (logS, log(mol/L))	-3,1
Polarna površina^[3] (PSA,Å²)	41,8

^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.