2,4,5-Trihlorofenoksisirćetna kiselina

Izvor: Wikipedia
2,4,5-Trihlorofenoksisirćetna kiselina
2,4,5-Trichlorophenoxyacetic acid structure numbered.svg
2,4,5-Trichlorophenoxyacetic-acid-3D-balls.png
Identifikacija
CAS registarski broj 93-76-5 YesY
ChemSpider[1] 1435 YesY
UNII 9Q963S4YMX YesY
KEGG[2] C07100
ChEBI 27903
ChEMBL[3] CHEMBL194458 YesY
Jmol-3D slike Slika 1
Svojstva
Molekulska formula C8H5Cl3O3
Molarna masa 255.48 g mol−1



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

Infobox references

2,4,5-Trihlorofenoksisirćetna kiselina je organsko jedinjenje, koje sadrži 8 atoma ugljenika i ima molekulsku masu od 255,482 Da.

Osobine[uredi - уреди]

Osobina Vrednost
Broj akceptora vodonika 3
Broj donora vodonika 1
Broj rotacionih veza 3
Particioni koeficijent[4] (ALogP) 3,3
Rastvorljivost[5] (logS, log(mol/L)) -3,7
Polarna površina[6] (PSA, Å2) 46,5

Reference[uredi - уреди]

  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. Joanne Wixon, Douglas Kell (2000). "Website Review: The Kyoto Encyclopedia of Genes and Genomes — KEGG". Yeast 17 (1): 48–55. doi:10.1002/(SICI)1097-0061(200004)17:1<48::AID-YEA2>3.0.CO;2-H. 
  3. 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
  4. 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. 
  5. 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. 
  6. 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 - уреди]

Spoljašnje veze[uredi - уреди]