Category

This is a category compound table for model Rat toxicity prediction with Predictive Clustering Trees.

IndexImageSMILESInChInameadrenal-gland-weight-increasedbody-weight-decreasedbone-marrowbrainclinchem-hepatotoxclinchem-nephrotoxcnsfemale-reproductive-organhaematology-anaemiahaematology-cellular-hemostasishaematology-plasmatic-hemostasishaematopoiesisintestinekidneykidney-weight-increasedliverliver-weight-increasedmale-accessory-glandmale-reproductive-organmale-reproductive-organ-spermmale-reproductive-organ-weight-decreasedmale-reproductive-organ-weight-increasedrbcspleenthymusthymus-weight-decreasedthyroid-glandwbc
4ClCC(Cl)CClInChI=1S/C3H5Cl3/c4-1-3(6)2-5/h3H,1-2H21,2,3-Trichloropropanemissingactivemissingactivemissingactivemissingmissingmissingmissingmissingactivemissingactiveactiveactiveactivemissingmissingmissingmissingactivemissingmissingmissingmissingactivemissing
194C(Cl)(C(CCl)Cl)=CInChI=1S/C4H5Cl3/c1-3(6)4(7)2-5/h4H,1-2H22,3,4-Trichloro-1-butenemissingactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingactivemissingmissingmissingmissingactive
246BrC(Br)BrInChI=1S/CHBr3/c2-1(3)4/h1HTribromomethanemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingactiveactive
305C(C(Cl)(Cl)Cl)CClInChI=1S/C3H4Cl4/c4-2-1-3(5,6)7/h1-2H21,1,1,3-Tetrachloropropanemissingmissingmissingmissingmissingmissingactivemissingmissingmissingmissingmissingmissingmissingmissingactiveinactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissing
35096-03-0330missingmissingmissingmissingmissinginactiveactivemissinginactiveinactiveinactivemissingmissinginactivemissingactiveinactivemissingmissingmissingmissingmissinginactiveinactivemissingmissingmissingmissing
406ClC(C(Cl)Cl)ClInChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H1,1,2,2-Tetrachloroethanemissingactiveactivemissingmissinginactivemissinginactiveactivemissingmissingmissingmissingactiveinactiveactiveactiveinactiveinactiveactiveactivemissingmissinginactivemissinginactivemissingmissing
607BrC(Cl)ClInChI=1S/CHBrCl2/c2-1(3)4/h1HBromodichloromethanemissingactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissinginactivemissinginactivemissinginactivemissingmissingmissingmissingmissinginactiveinactivemissingmissingmissing
628C(\CCl)(=C\Cl)ClInChI=1S/C3H3Cl3/c4-1-3(6)2-5/h1H,2H2/b3-1+1,2,3 Trichloro-1-propenemissingactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissing
672ClCCSCCClInChI=1S/C4H8Cl2S/c5-1-3-7-4-2-6/h1-4H21,1'-Thiobis(2-chloroethane)missingactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissing
677ClC(CCl)(Cl)ClInChI=1S/C2H2Cl4/c3-1-2(4,5)6/h1H21,1,1,2-Tetrachloroethanemissinginactivemissingmissingmissingmissinginactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissing