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Daledalin
Klinički podaci
Drugs.comMonografija
Identifikatori
CAS broj22136-27-2 ДаY
ATC kodNone
PubChemCID 31707
ChemSpider29403 ДаY
UNIIIT56261A5A ДаY
Hemijski podaci
FormulaC19H24N2
Molarna masa280,407
  • CNCCCC1(C)CN(c2ccccc2)c3ccccc13
  • InChI=1S/C19H24N2/c1-19(13-8-14-20-2)15-21(16-9-4-3-5-10-16)18-12-7-6-11-17(18)19/h3-7,9-12,20H,8,13-15H2,1-2H3 ДаY
  • Key:YFAIJBZEDDOCAN-UHFFFAOYSA-N ДаY

Daledalin je organsko jedinjenje, koje sadrži 19 atoma ugljenika i ima molekulsku masu od 280,407 Da.

Osobine

Osobina Vrednost
Broj akceptora vodonika 2
Broj donora vodonika 1
Broj rotacionih veza 5
Particioni koeficijent[1] (ALogP) 4,1
Rastvorljivost[2] (logS, log(mol/L)) -5,3
Polarna površina[3] (PSA, Å2) 15,3

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/Daledalin