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
5COC(CCl)=OInChI=1S/C3H5ClO2/c1-6-3(5)2-4/h2H2,1H3Chloroacetic acid, methyl estermissingactivemissingmissingmissingmissingactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissing
16994-03-0282missingactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingactiveactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissing
29397-01-0499missingmissingmissingmissingmissingmissingactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissing
615OC(CCl)=OInChI=1S/C2H3ClO2/c3-1-2(4)5/h1H2,(H,4,5)Chloroacetic acidmissingmissingmissingmissingactiveactivemissingmissingmissingmissingmissingmissingmissingmissingactivemissingactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissing
642ClCC1CO1InChI=1S/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2Epichlorohydrinmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingactivemissingactivemissingmissingmissingmissingmissingactivemissingmissingmissingmissingmissing
701[Na+].[O-]C(CCl)=OInChI=1S/C2H3ClO2.Na/c3-1-2(4)5;/h1H2,(H,4,5);/q;+1/p-1Chloroacetic acid, sodium saltmissingmissingmissingmissingactiveactivemissingmissingmissingmissingmissingmissingmissingmissingactiveactiveactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissing