Safrazin : Osobine, Reference, Literatura, Spoljašnje veze Википедија

Safrazin

Safrazin
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	33419-68-0^Y
ATC kod	none
PubChem	CID 34042
ChemSpider	31375^Y
UNII	F5G0P5378C^Y
Sinonimi	4-benzo[1,3]dioxol-5-ylbutan-2-ylhydrazine; [3-(3,4-(methylenedioxy)phenyl)-1-butyl]hydrazine; 2-piperonylisopropylhydrazine
Hemijski podaci
Formula	C₁₁H₁₆N₂O₂
Molarna masa	208,257
SMILES CC(CCc1ccc2OCOc2c1)NN
InChI InChI=1S/C11H16N2O2/c1-8(13-12)2-3-9-4-5-10-11(6-9)15-7-14-10/h4-6,8,13H,2-3,7,12H2,1H3^Y Key:IBWPUTAKVGZXRB-UHFFFAOYSA-N^Y

Safrazin je organsko jedinjenje, koje sadrži 11 atoma ugljenika i ima molekulsku masu od 208,257 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	4
Broj donora vodonika	2
Broj rotacionih veza	4
Particioni koeficijent^[1] (ALogP)	1,5
Rastvorljivost^[2] (logS, log(mol/L))	-2,1
Polarna površina^[3] (PSA, Å²)	56,5

^ 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.