Difluoropin Садржај Osobine Reference Literatura Spoljašnje veze Мени за навигацијуMonografija156774-35-5190851„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 ChemistryDifluoropinVikimedijinoj ostaviDifluoropine
Карбоксилатни естриЕтриАминиФлуороарени
organsko jedinjenjeatomaugljenikamolekulsku masuDa
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Difluoropin
Иди на навигацију
Иди на претрагу
 | |
| Klinički podaci | |
|---|---|
| Drugs.com | Monografija |
| Identifikatori | |
| CAS broj | 156774-35-5  Y |
| ATC kod | none |
| PubChem | CID 190851 |
| Sinonimi | (S)-(+)-2β-Carbomethoxy-3α-(bis(4-fluorophenyl)methoxy)tropane |
| Hemijski podaci | |
| Formula | C23H25F2NO3 |
| Molarna masa | 401,446 |
SMILES
| |
InChI
| |
Difluoropin je organsko jedinjenje, koje sadrži 23 atoma ugljenika i ima molekulsku masu od 401,446 Da.
Садржај
1 Osobine
2 Reference
3 Literatura
4 Spoljašnje veze
Osobine
| Osobina | Vrednost |
|---|---|
| Broj akceptora vodonika | 4 |
| Broj donora vodonika | 0 |
| Broj rotacionih veza | 6 |
Particioni koeficijent[1] (ALogP) | 4,1 |
Rastvorljivost[2] (logS, log(mol/L)) | -5,4 |
Polarna površina[3] (PSA, Å2) | 38,8 |
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
 | Difluoropin na Vikimedijinoj ostavi. |
- Difluoropine
Категорије:
- Карбоксилатни естри
- Етри
- Амини
- Флуороарени
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