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Scientific paper - Original scientific paper
Experimental and calculation procedures for molecular lipophilicity: a comparative study for 3,3'-(2-methoxybenzylidene)bis(4-hydroxycoumarin)
Croatica Chemica Acta, 77 (2004), 1-2; 367-370. urn:nbn:hr:163:527682
Medić-Šarić, Marica; Mornar, Ana; Badovinac-Črnjević, Tanja; Jasprica, Ivona

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Medić Šarić, M., Mornar, A., Badovinac Črnjević, T. & Jasprica, I. (2004). Experimental and calculation procedures for molecular lipophilicity: a comparative study for 3,3'-(2-methoxybenzylidene)bis(4-hydroxycoumarin). Croatica Chemica Acta, 77. (1-2), 367-370. Retrieved from https://urn.nsk.hr/urn:nbn:hr:163:527682

Medić Šarić, Marica, et al. "Experimental and calculation procedures for molecular lipophilicity: a comparative study for 3,3'-(2-methoxybenzylidene)bis(4-hydroxycoumarin)." Croatica Chemica Acta, vol. 77, no. 1-2, 2004, pp. 367-370. https://urn.nsk.hr/urn:nbn:hr:163:527682

Medić Šarić, Marica, Ana Mornar, Tanja Badovinac Črnjević and Ivona Jasprica. "Experimental and calculation procedures for molecular lipophilicity: a comparative study for 3,3'-(2-methoxybenzylidene)bis(4-hydroxycoumarin)." Croatica Chemica Acta 77, no. 1-2 (2004): 367-370. https://urn.nsk.hr/urn:nbn:hr:163:527682

Medić Šarić, M., et al. (2004) 'Experimental and calculation procedures for molecular lipophilicity: a comparative study for 3,3'-(2-methoxybenzylidene)bis(4-hydroxycoumarin)', Croatica Chemica Acta, 77(1-2), pp. 367-370. Available at: https://urn.nsk.hr/urn:nbn:hr:163:527682 (Accessed 22 November 2024)

Medić Šarić M, Mornar A, Badovinac Črnjević T, Jasprica I. Experimental and calculation procedures for molecular lipophilicity: a comparative study for 3,3'-(2-methoxybenzylidene)bis(4-hydroxycoumarin). Croatica Chemica Acta [Internet]. 2004 [cited 2024 November 22];77(1-2):367-370. Available at: https://urn.nsk.hr/urn:nbn:hr:163:527682

M. Medić Šarić, A. Mornar, T. Badovinac Črnjević and I. Jasprica, "Experimental and calculation procedures for molecular lipophilicity: a comparative study for 3,3'-(2-methoxybenzylidene)bis(4-hydroxycoumarin)", Croatica Chemica Acta, vol. 77, no. 1-2, pp. 367-370, 2004. [Online]. Available at: https://urn.nsk.hr/urn:nbn:hr:163:527682. [Accessed: 22 November 2024]

Metadata
Title (english)Experimental and calculation procedures for molecular lipophilicity: a comparative study for 3,3'-(2-methoxybenzylidene)bis(4-hydroxycoumarin)
AuthorMarica Medić-Šarić
AuthorAna Mornar
AuthorTanja Badovinac-Črnjević
AuthorIvona Jasprica
Author's institutionUniversity of Zagreb
Faculty of Pharmacy and Biochemistry
(Department of medicinal chemistry)
Scientific / art field,
discipline and subdiscipline		BIOMEDICINE AND HEALTHCARE
Pharmacy
Pharmacy
Abstract (english)
In our work, the log P value for 3,3'-(2-methoxybenzylidene)bis(4-hydroxycoumarin) (MBbisHC) was experimentally determined (»shake-flask« method) and calculated using six different computer programs: HyperChem 7.0 (based on atom contributions), XLOGP (based on atom contributions), KowWin (based on atom/fragment contributions), CLOGP (based on fragmental contributions), ALOGPS 2.1 (based on atom-type electrotopological-state indices and neural network modeling), and IA logP (based on atom-type electrotopological-state indices and neural network modeling). The experimental and calculated log <i>P</i> values were correlated. The best result was achieved using the HyperChem 7.0 program, which resulted in a nearly perfect agreement between the experimentally observed and calculated log <i>P</i> values.
Keywords (english)
Languageenglish
Publication typeScientific paper - Original scientific paper
Publication statusPublished
Peer reviewPeer review - international
Publication versionPublished version
Journal titleCroatica Chemica Acta
Numberingvol. 77, no. 1-2, pp. 367-370
p-ISSN0011-1643
e-ISSN1334-417X
URN:NBNurn:nbn:hr:163:527682
Publication2004
Document URLhttps://hrcak.srce.hr/102729
Type of resourceText
Access conditionsOpen access
Terms of useLicence In copyright icon
Created on2020-04-21 16:56:18