Karbaril
Изглед
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Identifikacija | |||
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3D model (Jmol)
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ChEBI | |||
ChemSpider | |||
ECHA InfoCard | 100.000.505 | ||
KEGG[1] | |||
UNII | |||
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Svojstva | |||
C12H11NO2 | |||
Molarna masa | 201,221 | ||
Ukoliko nije drugačije napomenuto, podaci se odnose na standardno stanje materijala (na 25 °C [77 °F], 100 kPa). | |||
Reference infokutije | |||
Karbaril je organsko jedinjenje, koje sadrži 12 atoma ugljenika i ima molekulsku masu od 201,221 Da.
Osobine
[уреди | уреди извор]Osobina | Vrednost |
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Broj akceptora vodonika | 2 |
Broj donora vodonika | 1 |
Broj rotacionih veza | 2 |
Particioni koeficijent[2] (ALogP) | 2,5 |
Rastvorljivost[3] (logS, log(mol/L)) | -3,3 |
Polarna površina[4] (PSA, Å2) | 38,3 |
Reference
[уреди | уреди извор]- ^ 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.
- ^ 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. PMID 11749573. doi:10.1021/ci000392t.
- ^ 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. PMID 11020286. doi:10.1021/jm000942e.
Literatura
[уреди | уреди извор]- 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.