Nonabin

Nonabin
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	16985-03-8^Y
ATC kod	none
UNII	77DUK856J7^Y
Hemijski podaci
Formula	C₁₈H₃₀O₂
Molarna masa	278,430
SMILES CCCCCC(C)C(C)c1cc(O)cc(OC(C)C)c1
InChI InChI=1S/C18H30O2/c1-6-7-8-9-14(4)15(5)16-10-17(19)12-18(11-16)20-13(2)3/h10-15,19H,6-9H2,1-5H3^Y Key:VGDQACCGRLHBPR-UHFFFAOYSA-N^Y

Nonabin je organsko jedinjenje, koje sadrži 18 atoma ugljenika i ima molekulsku masu od 278,430 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	2
Broj donora vodonika	1
Broj rotacionih veza	8
Particioni koeficijent^[1] (ALogP)	6,0
Rastvorljivost^[2] (logS, log(mol/L))	-5,7
Polarna površina^[3] (PSA, Å²)	29,5

^ 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.