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2C-B-BZP

Izvor: Wikipedija
2C-B-BZP
Klinički podaci
AHFS/Drugs.comMonografija
Identifikatori
CAS broj1094424-37-9
ATC kodnije dodeljen
ChemSpider[1]26234933
Hemijski podaci
FormulaC13H19BrN2O2 
Mol. masa315,206
SMILESeMolekuli &PubHem
InChI
InChI=1S/C13H19BrN2O2/c1-17-12-8-11(14)13(18-2)7-10(12)9-16-5-3-15-4-6-16/h7-8,15H,3-6,9H2,1-2H3
Key: OHXVYXBOJDDYJS-UHFFFAOYSA-N DaY
Farmakoinformacioni podaci
Trudnoća?
Pravni status

2C-B-BZP jeorgansko jedinjenje, koje sadrži 13atomaugljenika i imamolekulsku masu od 315,206Da.

Osobine

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OsobinaVrednost
Broj akceptora vodonika4
Broj donora vodonika1
Broj rotacionih veza4
Particioni koeficijent[2] (ALogP)2,0
Rastvorljivost[3] (logS, log(mol/L))-3,2
Polarna površina[4] (PSA,Å2)33,7

Reference

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  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. 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. 
  3. 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. 
  4. 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 Medicina
Portal Hemija
2C-B-BZP naWikimedijinoj ostavi
Izvor:https://sh.wikipedia.org/w/index.php?title=2C-B-BZP&oldid=42271035
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