VCHSR : Osobine, Reference, Literatura, Spoljašnje veze Википедија

VCHSR

VCHSR
Klinički podaci

Drugs.com	Monografija
Identifikatori
ATC kod	None
Hemijski podaci
Formula	C₂₄H₂₃Cl₃N₂
Molarna masa	445,812
SMILES Cc1c(C=CC2CCCCC2)nn(c3ccc(Cl)cc3Cl)c1c4ccc(Cl)cc4
InChI InChI=1S/C24H23Cl3N2/c1-16-22(13-7-17-5-3-2-4-6-17)28-29(23-14-12-20(26)15-21(23)27)24(16)18-8-10-19(25)11-9-18/h7-15,17H,2-6H2,1H3^Y Key:UMOLSRBHNLXWGD-UHFFFAOYSA-N^Y

VCHSR je organsko jedinjenje, koje sadrži 24 atoma ugljenika i ima molekulsku masu od 445,812 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	1
Broj donora vodonika	0
Broj rotacionih veza	4
Particioni koeficijent^[1] (ALogP)	9,4
Rastvorljivost^[2] (logS, log(mol/L))	-11,0
Polarna površina^[3] (PSA, Å²)	17,8

^ 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.