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
45Cc1c([N+](=O)[O-])c(C)ccc1InChI=1S/C8H9NO2/c1-6-4-3-5-7(2)8(6)9(10)11/h3-5H,1-2H32-Nitro-1,3-dimethylbenzenemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissinginactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissing
46[O-][N+](c1cccc(C)c1C)=OInChI=1S/C8H9NO2/c1-6-4-3-5-8(7(6)2)9(10)11/h3-5H,1-2H33-Nitro-1,2-dimethylbenzenemissingactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissing
47[O-][N+](c1cc(C)c(C)cc1)=OInChI=1S/C8H9NO2/c1-6-3-4-8(9(10)11)5-7(6)2/h3-5H,1-2H34-Nitro-1,2-dimethylbenzenemissingmissingmissingmissingmissingactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissing
436Cc1c([N+](=O)[O-])cccc1InChI=1S/C7H7NO2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3o-Nitrotoluenemissingactivemissingmissingmissinginactivemissinginactivemissingactivemissinginactivemissinginactiveactiveinactiveactivemissinginactiveinactiveinactivemissinginactiveactivemissingmissingmissingactive
443c1([N+](=O)[O-])ccc(C)cc1InChI=1S/C7H7NO2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3p-Nitrotoluenemissinginactivemissingmissingmissinginactivemissinginactiveinactivemissingmissingactivemissingactiveinactivemissinginactivemissinginactiveactiveinactivemissinginactiveactivemissingactivemissingmissing
622Cc1ccc([N+](=O)[O-])c(c1)CInChI=1S/C8H9NO2/c1-6-3-4-8(9(10)11)7(2)5-6/h3-5H,1-2H34-Nitro-1,3-dimethylbenzeneinactiveinactivemissingmissingmissingmissingmissingmissingmissinginactivemissingmissingmissingmissingmissingmissinginactivemissingmissingmissingmissingmissinginactiveinactivemissingmissingmissingmissing
624c1(ccccc1[N+](=O)[O-])OCInChI=1S/C7H7NO3/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3o-Nitroanisolemissinginactivemissingmissingmissingmissingmissinginactiveinactivemissingmissingmissingmissingactiveactiveinactiveactivemissinginactiveinactivemissingmissinginactiveinactivemissinginactivemissinginactive
634c1(cc(ccc1)C)[N+](=O)[O-]InChI=1S/C7H7NO2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3m-Nitrotoluenemissinginactivemissingmissingmissinginactivemissinginactivemissinginactivemissingactivemissingmissingmissingmissinginactivemissinginactiveinactiveinactivemissinginactiveactivemissinginactivemissingmissing