Ifenprodil

Ifenprodil
Identifikacija

3D model (Jmol)	interaktivna slika
ChemSpider	3561^Y
ECHA InfoCard	100.041.341
KEGG^[1]	D08064^Y
PubChem^[2]^[3] C ID	3689
UNII	R8OE3P6O5S^Y

SMILES CC(C(O)c1ccc(O)cc1)N2CCC(Cc3ccccc3)CC2
Svojstva
Hemijska formula	C₂₁H₂₇NO₂
Molarna masa	325,445
Ukoliko nije drugačije napomenuto, podaci se odnose na standardno stanje materijala (na 25 °C [77 °F], 100 kPa).
Reference infokutije

Ifenprodil je organsko jedinjenje, koje sadrži 21 atom ugljenika i ima molekulsku masu od 325,445 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	3
Broj donora vodonika	2
Broj rotacionih veza	5
Particioni koeficijent^[4] (ALogP)	4,2
Rastvorljivost^[5] (logS, log(mol/L))	-4,9
Polarna površina^[6] (PSA, Å²)	43,7

^ Joanne Wixon; Douglas Kell (2000). „Website Review: The Kyoto Encyclopedia of Genes and Genomes — KEGG”. Yeast. 17 (1): 48—55. doi:10.1002/(SICI)1097-0061(200004)17:1<48::AID-YEA2>3.0.CO;2-H.
^ Li Q, Cheng T, Wang Y, Bryant SH (2010). „PubChem as a public resource for drug discovery.”. Drug Discov Today. 15 (23-24): 1052—7. PMID 20970519. doi:10.1016/j.drudis.2010.10.003. уреди
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^ 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.

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