Tenildiamin

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Tenildiamin
Klinički podaci
AHFS/Drugs.com Monografija
Identifikatori
CAS broj 91-79-2
ATC kod nije dodeljen
PubChem[1][2] 7066
UNII E4U52363JE DaY
Hemijski podaci
Formula C14H19N3S 
Mol. masa 261,386
SMILES eMolekuli & PubHem
Farmakoinformacioni podaci
Trudnoća ?
Pravni status

Tenildiamin je organsko jedinjenje, koje sadrži 14 atoma ugljenika i ima molekulsku masu od 261,386 Da.

Osobine[uredi | uredi kôd]

Osobina Vrednost
Broj akceptora vodonika 3
Broj donora vodonika 0
Broj rotacionih veza 6
Particioni koeficijent[3] (ALogP) 2,8
Rastvorljivost[4] (logS, log(mol/L)) -3,2
Polarna površina[5] (PSA, Å2) 47,6

Reference[uredi | uredi kôd]

  1. Li Q, Cheng T, Wang Y, Bryant SH (2010), "PubChem as a public resource for drug discovery.", Drug Discov Today 15(23-24): 1052-7. PMID 20970519. DOI: 10.1016/j.drudis.2010.10.003 , http://www.sciencedirect.com/science/article/pii/S1359644610007737.  edit
  2. Evan E. Bolton, Yanli Wang, Paul A. Thiessen, Stephen H. Bryant (2008), "Chapter 12 PubChem: Integrated Platform of Small Molecules and Biological Activities", Annual Reports in Computational Chemistry 4: 217-241, doi 10.1016/S1574-1400(08)00012-1. 
  3. Ghose, A.K., Viswanadhan V.N., and 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 , http://www.citeulike.org/user/gregoryross/article/2886898. 
  4. 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 , http://pubs.acs.org/doi/abs/10.1021/ci000392t. 
  5. 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 , http://pubs.acs.org/doi/abs/10.1021/jm000942e. 

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