|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C14H11Cl3N2O3/c15-8-5-9(16)7-10(6-8)19-13(20)11(17)12(14(19)21)18-1-3-22-4-2-18/h5-7H,1-4H2
|
|
chemicalCompound:standardIn... |
MMOSWUMIFFIKKL-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
ClC1=C(N2CCOCC2)C(=O)N(C1=O)c3cc(Cl)cc(Cl)c3
|
|
chemicalCompound:molecularF... |
C14H11Cl3N2O3
|
|
chemicalCompound:moleculeId |
752352
|
|
chemicalCompound:mwFreebase |
361.608
|
|
chemicalCompound:alogp |
2.544
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
49.85
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdLogP |
2.811
|
|
chemicalCompound:acdLogD |
2.811
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
361.608
|
|
chemicalCompound:chemblId |
CHEMBL1328468
|
|
chemicalCompound:maxPhase |
0
|
|
chemicalCompound:therapeuti... |
0
|
|
chemicalCompound:dosedIngre... |
No
|
|
chemicalCompound:structureT... |
|
|
chemicalCompound:chebi |
|
|
chemicalCompound:moleculeTy... |
|
|
chemicalCompound:oral |
No
|
|
chemicalCompound:parenteral |
No
|
|
chemicalCompound:topical |
No
|
|
chemicalCompound:blackBoxWa... |
No
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:activity |
|
