2C-T-2

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2C-T-2
Identifikacija
CAS registarski broj 207740-24-7 DaY
ChemSpider[1] 16787961 DaY
ChEMBL[2] CHEMBL339223 DaY
Jmol-3D slike Slika 1
Svojstva
Molekulska formula C12H19NO2S
Molarna masa 241.35 g mol−1



Ukoliko nije drugačije napomenuto, podaci se odnose na standardno stanje (25 °C, 100 kPa) materijala

Infobox references

2C-T-2 je organsko jedinjenje, koje sadrži 12 atoma ugljenika i ima molekulsku masu od 241,350 Da.

Osobine[uredi | uredi kod]

Osobina Vrednost
Broj akceptora vodonika 4
Broj donora vodonika 1
Broj rotacionih veza 6
Particioni koeficijent[3] (ALogP) 2,1
Rastvorljivost[4] (logS, log(mol/L)) -3,6
Polarna površina[5] (PSA, Å2) 69,8

Reference[uredi | uredi kod]

  1. Hettne KM, Williams AJ, van Mulligen EM, Kleinjans J, Tkachenko V, Kors JA. (2010). „Automatic vs. manual curation of a multi-source chemical dictionary: the impact on text mining”. J Cheminform 2 (1): 3. DOI:10.1186/1758-2946-2-3. PMID 20331846.  edit
  2. Gaulton A, Bellis LJ, Bento AP, Chambers J, Davies M, Hersey A, Light Y, McGlinchey S, Michalovich D, Al-Lazikani B, Overington JP. (2012). „ChEMBL: a large-scale bioactivity database for drug discovery”. Nucleic Acids Res 40 (Database issue): D1100-7. DOI:10.1093/nar/gkr777. PMID 21948594.  edit
  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. 
  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. DOI:10.1021/ci000392t. PMID 11749573. 
  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. DOI:10.1021/jm000942e. PMID 11020286. 

Literatura[uredi | uredi kod]

Spoljašnje veze[uredi | uredi kod]