Bicifadin

Bicifadin
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	71195-57-8^Y
ATC kod	none
PubChem	CID 47953
ChemSpider	9889978^Y
UNII	B0SV3N7J3H^Y
Hemijski podaci
Formula	C₁₂H₁₅N
Molarna masa	173,254
SMILES Cc1ccc(cc1)[C@]23CNC[C@@H]2C3
InChI InChI=1S/C12H15N/c1-9-2-4-10(5-3-9)12-6-11(12)7-13-8-12/h2-5,11,13H,6-8H2,1H3/t11-,12-/m0/s1^Y Key:OFYVIGTWSQPCLF-RYUDHWBXSA-N^Y

Bicifadin je organsko jedinjenje, koje sadrži 12 atoma ugljenika i ima molekulsku masu od 173,254 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	1
Broj donora vodonika	1
Broj rotacionih veza	1
Particioni koeficijent^[1] (ALogP)	1,8
Rastvorljivost^[2] (logS, log(mol/L))	-3,2
Polarna površina^[3] (PSA, Å²)	12,0

^ 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.