Tetrahlorodekaoksid

Tetrahlorodekaoksid
Klinički podaci
Drugs.com	Monografija
Identifikatori
CAS broj	92047-76-2^Y
ATC kod	D03AX11 (WHO)
PubChem	CID 3000391
Hemijski podaci
Formula	Cl₄H₂O₁₁
Molarna masa	319,821
SMILES O.[O-]Cl=O.[O-]Cl=O.[O-]Cl=O.[O-]Cl=O.O=O
InChI InChI=1S/4ClHO2.O2.H2O/c42-1-3;1-2;/h4(H,2,3);;1H2/p-4^Y Key:VOWOEBADKMXUBU-UHFFFAOYSA-J^Y

Tetrahlorodekaoksid je hemijsko jedinjenje koje ima molekulsku masu od 319,821 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	11
Broj donora vodonika	1
Broj rotacionih veza	0
Particioni koeficijent^[1] (ALogP)	-4,7
Rastvorljivost^[2] (logS, log(mol/L))	-4,9
Polarna površina^[3] (PSA, Å²)	226,2

^ 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.

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.