Harmalin Садржај Osobine Reference Literatura Spoljašnje veze Мени за навигацијуMonografija304-21-2528095110211258CN58I4TOETC06536CHEBI:28172CHEMBL340807„Prediction of Hydrophobic (Lipophilic) Properties of Small Organic Molecules Using Fragment Methods: An Analysis of AlogP and CLogP Methods”10.1021/jp980230o„Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices”1174957310.1021/ci000392t„Fast calculation of molecular polar surface area as a sum of fragment based contributions and its application to the prediction of drug transport properties”1102028610.1021/jm000942eGoodman & Gilman's The Pharmacological Basis of Therapeutics10.1036/0071422803Foye's Principles of Medicinal ChemistryHarmalinVikimedijinoj ostaviHarmaline
Етри
organsko jedinjenjeatomaugljenikamolekulsku masuDa
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Harmalin
Иди на навигацију
Иди на претрагу
 | |
| Klinički podaci | |
|---|---|
| Drugs.com | Monografija |
| Identifikatori | |
| CAS broj | 304-21-2  Y |
| ATC kod | None |
| PubChem | CID 5280951 |
| ChemSpider | 10211258 Y |
| UNII | CN58I4TOET Y |
| KEGG | C06536 Y |
| ChEBI | CHEBI:28172 Y |
| ChEMBL | CHEMBL340807 Y |
| Hemijski podaci | |
| Formula | C13H14N2O |
| Molarna masa | 214,263 |
SMILES
| |
InChI
| |
| Fizički podaci | |
| Tačka topljenja | 232—234 °C (450—453 °F) |
Harmalin je organsko jedinjenje, koje sadrži 13 atoma ugljenika i ima molekulsku masu od 214,263 Da.
Садржај
1 Osobine
2 Reference
3 Literatura
4 Spoljašnje veze
Osobine
| Osobina | Vrednost |
|---|---|
| Broj akceptora vodonika | 2 |
| Broj donora vodonika | 1 |
| Broj rotacionih veza | 1 |
Particioni koeficijent[1] (ALogP) | 2,5 |
Rastvorljivost[2] (logS, log(mol/L)) | -3,7 |
Polarna površina[3] (PSA, Å2) | 37,4 |
Reference
^ 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
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Hardman JG, Limbird LE, Gilman AG (2001). Goodman & Gilman's The Pharmacological Basis of Therapeutics (10. изд.). New York: McGraw-Hill. ISBN 0071354697. doi:10.1036/0071422803.
Thomas L. Lemke; David A. Williams, ур. (2007). Foye's Principles of Medicinal Chemistry (6. изд.). Baltimore: Lippincott Willams & Wilkins. ISBN 0781768799.
Spoljašnje veze
 | Harmalin na Vikimedijinoj ostavi. |
- Harmaline
Категорија:
- Етри
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