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Metazocin
Klinički podaci
Drugs.comMonografija
Identifikatori
CAS broj3734-52-9 ДаY
ATC kodnone
PubChemCID 62518
ChemSpider56292 ДаY
UNIIXD53YGT34W ДаY
ChEMBLCHEMBL257661 ДаY
Hemijski podaci
FormulaC15H21NO
Molarna masa231,333
  • CC1C2Cc3ccc(O)cc3C1(C)CCN2C
  • InChI=1S/C15H21NO/c1-10-14-8-11-4-5-12(17)9-13(11)15(10,2)6-7-16(14)3/h4-5,9-10,14,17H,6-8H2,1-3H3 ДаY
  • Key:YGSVZRIZCHZUHB-UHFFFAOYSA-N ДаY

Metazocin je organsko jedinjenje, koje sadrži 15 atoma ugljenika i ima molekulsku masu od 231,333 Da.

Osobine

Osobina Vrednost
Broj akceptora vodonika 2
Broj donora vodonika 1
Broj rotacionih veza 0
Particioni koeficijent[1] (ALogP) 2,9
Rastvorljivost[2] (logS, log(mol/L)) -3,0
Polarna površina[3] (PSA, Å2) 23,5

Reference

  1. ^ 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. 
  2. ^ 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. 
  3. ^ 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. 

Literatura

Spoljašnje veze

source: https://sr.wikipedia.org/wiki/Metazocin