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
248O=P(OCC(CC)CCCC)(OCC(CC)CCCC)OCC(CC)CCCCInChI=1S/C24H51O4P/c1-7-13-16-22(10-4)19-26-29(25,27-20-23(11-5)17-14-8-2)28-21-24(12-6)18-15-9-3/h22-24H,7-21H2,1-6H3Tris(2-ethylhexyl)phosphatemissinginactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissing
254C(CCCCCCCCCC)COS(=O)(=O)[O-].[Na+]InChI=1S/C12H26O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;/h2-12H2,1H3,(H,13,14,15);/q;+1/p-1Sodium Lauryl Sulfateinactiveinactivemissinginactiveinactivemissingmissinginactivemissingmissingmissingmissinginactivemissinginactiveactiveinactivemissingmissingmissingmissinginactiveinactivemissingmissingmissingmissinginactive
519CC(COP(OCC(C)C)(OCC(C)C)=O)CInChI=1S/C12H27O4P/c1-10(2)7-14-17(13,15-8-11(3)4)16-9-12(5)6/h10-12H,7-9H2,1-6H3Triisobutyl phosphatemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingactivemissingmissingmissingmissinginactive
520CCCCOP(OCCCC)(OCCCC)=OInChI=1S/C12H27O4P/c1-4-7-10-14-17(13,15-11-8-5-2)16-12-9-6-3/h4-12H2,1-3H3Tributyl phosphatemissinginactivemissingmissingmissingmissingmissingmissingmissingmissinginactivemissingmissingmissingmissingmissingactivemissingmissingmissingmissingmissinginactivemissingmissingmissingmissingmissing
671S=P(SCCSCC)(OCC)OCCInChI=1S/C8H19O2PS3/c1-4-9-11(12,10-5-2)14-8-7-13-6-3/h4-8H2,1-3H3Disulfotonactivemissingactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissing
83396-04-0856missingmissingmissingmissingmissingmissingactivemissingmissingmissingmissinginactiveinactiveactiveinactiveinactivemissingmissingmissinginactivemissingmissingmissinginactivemissingmissingmissingmissing