Diazinon
Из Википедије, слободне енциклопедије
Diazinon | |
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Identifikacija
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CAS registarski broj | 333-41-5 ![]() |
PubChem[1][2] | 3017 |
ChemSpider[3] | 2909 ![]() |
UNII | YUS1M1Q929 ![]() |
KEGG[4] | |
ChEBI | 34682 |
ChEMBL[5] | CHEMBL388560 ![]() |
Jmol-3D slike | Slika 1 |
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Svojstva
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Molekulska formula | C12H21N2O3PS |
Molarna masa | 304.35 g mol−1 |
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Diazinon je organsko jedinjenje, koje sadrži 12 atoma ugljenika i ima molekulsku masu od 304,346 Da.
Osobine[уреди]
Osobina | Vrednost |
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Broj akceptora vodonika | 6 |
Broj donora vodonika | 0 |
Broj rotacionih veza | 7 |
Particioni koeficijent[6] (ALogP) | 3,1 |
Rastvorljivost[7] (logS, log(mol/L)) | -4,3 |
Polarna površina[8] (PSA, Å2) | 95,4 |
Reference[уреди]
- ↑ 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.
- ↑ 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.
- ↑ 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.
- ↑ 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.
- ↑ 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.
- ↑ Ghose, A.K.; Viswanadhan V.N. & 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.
- ↑ 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.
- ↑ 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[уреди]
- Clayden, Jonathan; Greeves, Nick; Warren, Stuart; Wothers, Peter (2001). Organic Chemistry (I изд.). Oxford University Press. ISBN 978-0-19-850346-0.
- Smith, Michael B.; March, Jerry (2007). Advanced Organic Chemistry: Reactions, Mechanisms, and Structure (6th изд.). New York: Wiley-Interscience. ISBN 0-471-72091-7.
- Katritzky A.R.; Pozharskii A.F. (2000). Handbook of Heterocyclic Chemistry (Second изд.). Academic Press. ISBN 0080429882.
Spoljašnje veze[уреди]
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Diazinon na Vikimedijinoj ostavi. |