Share to: share facebook share twitter share wa share telegram print page

Litracen

Litracen
Klinički podaci
Drugs.comMonografija
Identifikatori
CAS broj5118-30-9 ДаY
ATC kodnone
PubChemCID 82730
ChemSpider74659 ДаY
UNII2B3D399IVR ДаY
Hemijski podaci
FormulaC20H23N
Molarna masa277,403
  • CNCCC=C1c2ccccc2C(C)(C)c3ccccc13
  • InChI=1S/C20H23N/c1-20(2)18-12-6-4-9-16(18)15(11-8-14-21-3)17-10-5-7-13-19(17)20/h4-7,9-13,21H,8,14H2,1-3H3 ДаY
  • Key:AUZMDLDJTGPIEA-UHFFFAOYSA-N ДаY

Litracen je organsko jedinjenje, koje sadrži 20 atoma ugljenika i ima molekulsku masu od 277,403 Da.

Osobine

Osobina Vrednost
Broj akceptora vodonika 1
Broj donora vodonika 1
Broj rotacionih veza 3
Particioni koeficijent[1] (ALogP) 4,2
Rastvorljivost[2] (logS, log(mol/L)) -6,7
Polarna površina[3] (PSA, Å2) 12,0

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

Litracen на Викимедијиној остави.
Kembali kehalaman sebelumnya