Seknidazol

Seknidazol
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	3366-95-8^Y
ATC kod	P01AB07 (WHO)
PubChem	CID 71815
ChemSpider	64839^Y
UNII	R3459K699K^Y
KEGG	D07353^Y
ChEMBL	CHEMBL498847^Y
Sinonimi	PM 185184, RP 14539
Hemijski podaci
Formula	C₇H₁₁N₃O₃
Molarna masa	185,181
SMILES CC(O)Cn1c(C)ncc1[N+](=O)[O-]
InChI InChI=1S/C7H11N3O3/c1-5(11)4-9-6(2)8-3-7(9)10(12)13/h3,5,11H,4H2,1-2H3^Y Key:KPQZUUQMTUIKBP-UHFFFAOYSA-N^Y

Seknidazol je organsko jedinjenje, koje sadrži 7 atoma ugljenika i ima molekulsku masu od 185,181 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	4
Broj donora vodonika	1
Broj rotacionih veza	3
Particioni koeficijent^[1] (ALogP)	0,0
Rastvorljivost^[2] (logS, log(mol/L))	-1,8
Polarna površina^[3] (PSA, Å²)	83,9

^ 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.