Klorindion

Klorindion
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	1146-99-2^Y
ATC kod	B01AA09 (WHO)
PubChem	CID 70846
ChemSpider	64010^Y
UNII	541C7WS64R^Y
KEGG	D07135^Y
ChEMBL	CHEMBL278519^Y
Hemijski podaci
Formula	C₁₅H₉ClO₂
Molarna masa	256,684
SMILES Clc1ccc(cc1)C2C(=O)c3ccccc3C2=O
InChI InChI=1S/C15H9ClO2/c16-10-7-5-9(6-8-10)13-14(17)11-3-1-2-4-12(11)15(13)18/h1-8,13H^Y Key:NJDUWAXIURWWLN-UHFFFAOYSA-N^Y

Klorindion je organsko jedinjenje, koje sadrži 15 atoma ugljenika i ima molekulsku masu od 256,684 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	2
Broj donora vodonika	0
Broj rotacionih veza	1
Particioni koeficijent^[1] (ALogP)	3,5
Rastvorljivost^[2] (logS, log(mol/L))	-4,5
Polarna površina^[3] (PSA, Å²)	34,1

^ 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.