10967/177 - QDB Compounds

QsarDB Repository

Gramatica, P.; Cassani, S.; Chirico, N. QSARINS-chem: Insubria datasets and new QSAR/QSPR models for environmental pollutants in QSARINS. J. Comput. Chem. 2014, 35, 1036–1044.

56 compounds | Property M12.pLC50: Acute inhalation toxicity in mice as log(1/LC50) [-log(mmol/m^3)] i

IDNameM12.pLC50Details
7043-(trifluoromethyl)aniline i5.368View
1165(trifluoromethyl)benzene i3.2View
16042,2,2-trifluoroethan-1-ol i4.538View
1872bromotrifluoromethane i2.592View
1873trifluoroacetic acid i3.927View
18741,1,2-trichloro-1,2,2-trifluoroethane i2.858View
18752,2,3,3-tetrafluoropropan-1-ol i4.186View
18761-chloro-1,2,2-trifluoroethene i1.589View
18771-nitro-3-(trifluoromethyl)benzene i5.337View
18781-chloro-4-(trifluoromethyl)benzene i3.956View
1879tetrafluoroethene i2.845View
1880hexafluoroprop-1-ene i2.301View
18811,2-dibromo-1,1,2,2-tetrafluoroethane i2.938View
18821,3-dichloro-1,1,3,3-tetrafluoropropan-2-one i4.645View
1883(2S)-2-bromo-2-chloro-1,1,1-trifluoroethane i3.304View
1884(2E)-2,3-dichloro-1,1,1,4,4,4-hexafluorobut-2-ene i3.952View
18852,2-dichloro-1,1,1-trifluoroethane i0.315View
18861,1,1,2,2,3,3,4,4-nonafluoro-4-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)butane i3.962View
18871,2-dichloro-3,3,4,4,5,5,6,6-octafluorocyclohex-1-ene i5.511View
1888(2S)-1-bromo-2-chloro-1,1,2-trifluoroethane i3.227View
18891-chloro-1,1,2,2-tetrafluoroethane i1.989View
18901,1,1,2,2-pentafluoroethane i1.642View
1891(1R)-1,2-dibromo-1-chloro-1,2,2-trifluoroethane i4.099View
18921,1,1,2,2-pentafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethane i3.157View
1893tris(1,1,2,2,2-pentafluoroethyl)amine i2.442View
18941-ethoxy-1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-ene i3.692View
1895octafluorohexanedinitrile i6.255View
1896hexafluoropentanedinitrile i6.542View
18972,2,3,3-tetrafluoro-3-(trifluoromethoxy)propanoic acid i4.545View
1898methyl 2,2,3,3,3-pentafluoropropanoate i3.889View
1899hexafluorobenzene i3.292View
19002-bromo-1,1,1-trifluoroethane i2.832View
19012,2,3,3,3-pentafluoropropan-1-ol i4.176View
19021,1,1-trichloro-2,2,3,3-tetrafluoropropane i1.277View
1903pentafluoropropanoic acid i3.893View
19042,2,3,3-tetrafluoro-3-(trifluoromethoxy)propanoyl fluoride i4.746View
19052,2-dibromo-1,1,1-trifluoropropane i1.582View
19063,3,3-trifluoropropan-1-amine i5.275View
19073,3-dichloro-1,1,1-trifluoropropane i0.842View
19083,3,3-trifluoroprop-1-ene i1.739View
19091,2-dichloro-3,3,4,4,5,5-hexafluorocyclopent-1-ene i5.067View
19102,2,2-trifluoroethan-1-amine i4.376View
19111,1,1,2,2,3,3-heptafluoro-3-iodopropane i2.865View
19123,3,4,4,5,5,6,6-octafluorocyclohex-1-ene i5.363View
19131,1,1,2-tetrafluoroethane i1.778View
19141,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol i4.363View
1915(2E)-2,3-dichloro-1,1,1,4,4,4-hexafluorobut-2-ene i3.582View
1916(2S)-2-chloro-1-(difluoromethoxy)-1,1,2-trifluoroethane i1.357View
19172,2-dichloro-1,1,3,3-tetrafluoropropane i0.823View
19182-chloro-1,1,3,3-tetrafluoropropane i0.269View
1919(2S)-2-chloro-2-(difluoromethoxy)-1,1,1-trifluoroethane i1.041View
19201,1,1,3,3,3-hexafluoro-2-(fluoromethoxy)propane i0.849View
19211,1-dibromo-1-chloro-2,2,2-trifluoroethane i4.099View
19221,1,2,2,3,3,4,4-octafluoropentan-1-ol i4.344View
1923(2R)-2,3,3,3-tetrafluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]propanoyl fluoride i4.96View
19242,2,3-trichloro-1,1,1-trifluoropropane i3.607View

Bibliography

  1. ChemIDplus A TOXNET DATABASE. http://chem.sis.nlm.nih.gov/chemidplus/