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.

52 compounds | Property M13.pLC50: Acute inhalation toxicity in rat as log(1/LC50) [-log(mmol/m^3)] i

IDNameM13.pLC50Details
7043-(trifluoromethyl)aniline i5.5637View
1165(trifluoromethyl)benzene i3.3146View
12781,1,1,3,3,3-hexafluoropropan-2-ol i1.9301View
16042,2,2-trifluoroethan-1-ol i2.3281View
1872bromotrifluoromethane i0.2486View
1873trifluoroacetic acid i4.057View
18741,1,2-trichloro-1,2,2-trifluoroethane i0.6873View
18761-chloro-1,2,2-trifluoroethene i2.0662View
18771-nitro-3-(trifluoromethyl)benzene i5.3418View
18781-chloro-4-(trifluoromethyl)benzene i3.9142View
1879tetrafluoroethene i0.398View
1880hexafluoroprop-1-ene i4.1269View
18811,2-dibromo-1,1,2,2-tetrafluoroethane i2.6483View
18821,3-dichloro-1,1,3,3-tetrafluoropropan-2-one i4.6175View
1883(2S)-2-bromo-2-chloro-1,1,1-trifluoroethane i0.8329View
1884(2E)-2,3-dichloro-1,1,1,4,4,4-hexafluorobut-2-ene i4.1631View
18852,2-dichloro-1,1,1-trifluoroethane i0.6793View
18861,1,1,2,2,3,3,4,4-nonafluoro-4-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)butane i3.754View
18891-chloro-1,1,2,2-tetrafluoroethane i2.0487View
18901,1,1,2,2-pentafluoroethane i1.6154View
1893tris(1,1,2,2,2-pentafluoroethyl)amine i2.4171View
1895octafluorohexanedinitrile i6.6091View
1896hexafluoropentanedinitrile i6.4794View
1903pentafluoropropanoic acid i4.0246View
19131,1,1,2-tetrafluoroethane i1.8326View
1916(2S)-2-chloro-1-(difluoromethoxy)-1,1,2-trifluoroethane i1.1198View
1919(2S)-2-chloro-2-(difluoromethoxy)-1,1,1-trifluoroethane i1.0813View
19201,1,1,3,3,3-hexafluoro-2-(fluoromethoxy)propane i0.8418View
19251-chloro-1,1,2,2,2-pentafluoroethane i1.5004View
19261,1,3-trichloro-1,3,3-trifluoropropan-2-one i2.68View
19271-chloro-1,1,3,3,3-pentafluoropropan-2-one i3.1643View
19281-chloro-2,3,4,5,6-pentafluorobenzene i4.6552View
19291,1,1-trichloro-2,2,2-trifluoroethane i0.1588View
19301,3,3,3-tetrafluoro-1-methoxy-2-(trifluoromethyl)prop-1-ene i3.7824View
1931(2E)-octafluorobut-2-ene i3.3926View
1932tris(trifluoromethyl)-1,3,5-triazine i2.3088View
19333,3,3-trifluoro-2-(trifluoromethyl)prop-1-ene i2.0612View
1934(2Z)-2-chloro-1,1,1,4,4,4-hexafluorobut-2-ene i4.8206View
19351,1,1-trifluoroethane i-0.8079View
19363,3-dichloro-1,1,1,2,2-pentafluoropropane i0.7357View
19371,5-diethyl 2,2,3,3,4,4-hexafluoropentanedioate i5.3576View
19381,2,3,4,5-pentafluoro-6-(trifluoromethyl)benzene i2.3157View
1939(1,2,2-trifluoroethenyl)benzene i4.2959View
1940(3S)-1,3-dichloro-1,1,2,2,3-pentafluoropropane i0.8069View
1941trifluoro-1,3,5-triazine i4.6391View
1942dodecafluoropentane i3.3803View
1943hexafluoropropan-2-one i2.7808View
1944hexafluorobut-2-yne i3.3011View
19452,2,2-trifluoroethyl trifluoromethanesulfonate i2.4232View
19461,1,2,2,3,3-hexafluoro-4,4-bis(trifluoromethyl)cyclobutane i1.6576View
19471,1,3,3,3-pentafluoro-2-(fluoromethoxy)prop-1-ene i2.6533View
19481-chloro-2,3-difluoro-5-(trifluoromethyl)benzene i2.9189View

Bibliography

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