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HDMP-28

HDMP-28
Klinički podaci
Drugs.comMonografija
Identifikatori
ATC kodNone
PubChemCID 9817261
ChemSpider7993011 ДаY
Hemijski podaci
FormulaC18H21NO2
Molarna masa283,365
  • COC(=O)[C@@H]([C@H]1CCCCN1)c2ccc3ccccc3c2
  • InChI=1S/C18H21NO2/c1-21-18(20)17(16-8-4-5-11-19-16)15-10-9-13-6-2-3-7-14(13)12-15/h2-3,6-7,9-10,12,16-17,19H,4-5,8,11H2,1H3/t16-,17-/m1/s1 ДаY
  • Key:DNRNSIJBSCBESJ-IAGOWNOFSA-N ДаY

HDMP-28 je organsko jedinjenje, koje sadrži 18 atoma ugljenika i ima molekulsku masu od 283,365 Da.

Osobine

Osobina Vrednost
Broj akceptora vodonika 3
Broj donora vodonika 1
Broj rotacionih veza 4
Particioni koeficijent[1] (ALogP) 3,1
Rastvorljivost[2] (logS, log(mol/L)) -5,2
Polarna površina[3] (PSA, Å2) 38,3

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

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