Terpin hidrat
(Preusmjereno sa stranice RBNWAMSGVWEHFP-UHFFFAOYSA-N)
| Terpin hidrat | |||
|---|---|---|---|
| |||
| Identifikacija | |||
| ChEMBL[1] | CHEMBL1651998 
| ||
| Jmol-3D slike | Slika 1 | ||
| |||
| |||
| Svojstva | |||
| Molekulska formula | C10H20O2 | ||
| Molarna masa | 172.26 g mol−1 | ||
|
| |||
| Infobox references | |||
Terpin hidrat je organsko jedinjenje, koje sadrži 10 atoma ugljenika i ima molekulsku masu od 172,265 Da.
| Osobina | Vrednost |
|---|---|
| Broj akceptora vodonika | 2 |
| Broj donora vodonika | 2 |
| Broj rotacionih veza | 1 |
| Particioni koeficijent[2] (ALogP) | 1,4 |
| Rastvorljivost[3] (logS, log(mol/L)) | -1,9 |
| Polarna površina[4] (PSA, Å2) | 40,5 |
- ↑ 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., 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.
- ↑ 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.
- Clayden Jonathan, Nick Greeves, Stuart Warren, Peter Wothers (2001). Organic chemistry. Oxford, Oxfordshire: Oxford University Press. ISBN 0-19-850346-6.
- Smith, Michael B.; March, Jerry (2007). Advanced Organic Chemistry: Reactions, Mechanisms, and Structure (6th izd.). New York: Wiley-Interscience. ISBN 0-471-72091-7.
- Katritzky A.R., Pozharskii A.F. (2000). Handbook of Heterocyclic Chemistry. Academic Press. ISBN 0080429882.
