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Pericin
Klinički podaci
Drugs.comMonografija
Identifikatori
CAS broj84638-28-8 ДаY
ATC kodnone
PubChemCID 6440735
Hemijski podaci
FormulaC19H22N2
Molarna masa278,391
  • C\C=C/1\CN2CC[C@H]1C(=C)c3[nH]c4ccccc4c3CC2
  • InChI=1S/C19H22N2/c1-3-14-12-21-10-8-15(14)13(2)19-17(9-11-21)16-6-4-5-7-18(16)20-19/h3-7,15,20H,2,8-12H2,1H3/b14-3-/t15-/m0/s1 ДаY
  • Key:VAUGOKMDSLQYNG-WNDJQJCJSA-N ДаY

Pericin je organsko jedinjenje, koje sadrži 19 atoma ugljenika i ima molekulsku masu od 278,391 Da.

Osobine

Osobina Vrednost
Broj akceptora vodonika 1
Broj donora vodonika 1
Broj rotacionih veza 0
Particioni koeficijent[1] (ALogP) 4,3
Rastvorljivost[2] (logS, log(mol/L)) -4,4
Polarna površina[3] (PSA, Å2) 19,0

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/Pericin