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4-Fluorometamfetamin

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4-Fluorometamfetamin
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	351-03-1^Y
ATC kod	None
PubChem	CID11745017
ChemSpider	9919721^Y
Hemijski podaci
Formula	C₁₀H₁₄FN
Molarna masa	167,223
SMILES CNC(C)Cc1ccc(F)cc1
InChI InChI=1S/C10H14FN/c1-8(12-2)7-9-3-5-10(11)6-4-9/h3-6,8,12H,7H2,1-2H3^Y Key:YCWZPIHKUYZTFM-UHFFFAOYSA-N^Y

4-Fluorometamfetamin jeorgansko jedinjenje, koje sadrži 10atoma ugljenika i imamolekulsku masu od 167,223Da.

Osobina	Vrednost
Broj akceptora vodonika	1
Broj donora vodonika	1
Broj rotacionih veza	3
Particioni koeficijent^[1] (ALogP)	2,3
Rastvorljivost^[2] (logS, log(mol/L))	-3,0
Polarna površina^[3] (PSA,Å²)	12,0

^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.