Nonabin

Klinički podaci

AHFS/Drugs.com

Monografija

Identifikatori

CAS broj

16985-03-8

nije dodeljen

UNII

77DUK856J7^Y

Hemijski podaci

Formula

C₁₈H₃₀O₂

Mol. masa

278,430

SMILES

eMolekuli & PubHem

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 Key: VGDQACCGRLHBPR-UHFFFAOYSA-N^Y

Farmakoinformacioni podaci

Trudnoća

Pravni status

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., and 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. DOI:10.1021/ci000392t. PMID 11749573.
↑ 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. DOI:10.1021/jm000942e. PMID 11020286.

Hardman JG, Limbird LE, Gilman AG. (2001). Goodman & Gilman's The Pharmacological Basis of Therapeutics (10 izd.). New York: McGraw-Hill. DOI:10.1036/0071422803. ISBN 0-07-135469-7.
Thomas L. Lemke, David A. Williams, ur. (2007). Foye's Principles of Medicinal Chemistry (6 izd.). Baltimore: Lippincott Willams & Wilkins. ISBN 0-7817-6879-9.