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Pirazolidin

Izvor: Wikipedija
Pirazolidin
Identifikacija
CAS registarski broj504-70-1 DaY
PubChem[1][2]79033
Jmol-3D slikeSlika 1

C1CNNC1

InChI=1S/C3H8N2/c1-2-4-5-3-1/h4-5H,1-3H2 DaY
Kod: USPWKWBDZOARPV-UHFFFAOYSA-N DaY

Svojstva
Molekulska formulaC3H8N2
Molarna masa72.11 g mol−1



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

Infobox references

Pirazolidin jeorgansko jedinjenje, koje sadrži 3atomaugljenika i imamolekulsku masu od 72,109Da.

Osobine

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OsobinaVrednost
Broj akceptora vodonika2
Broj donora vodonika2
Broj rotacionih veza0
Particioni koeficijent[3] (ALogP)-0,9
Rastvorljivost[4] (logS, log(mol/L))0,3
Polarna površina[5] (PSA,Å2)24,1

Reference

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  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. DOI:10.1016/j.drudis.2010.10.003. PMID 20970519.  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. 
  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

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Vanjske veze

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Portal Hemija
Pirazolidin naWikimedijinoj ostavi
Izvor:https://sh.wikipedia.org/w/index.php?title=Pirazolidin&oldid=42279495
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