|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C6H3Cl3O/c7-3-1-5(9)6(10)2-4(3)8/h1-2,10H
|
|
chemicalCompound:standardIn... |
LHJGJYXLEPZJPM-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Oc1cc(Cl)c(Cl)cc1Cl
|
|
chemicalCompound:molecularF... |
C6H3Cl3O
|
|
chemicalCompound:moleculeId |
178713
|
|
chemicalCompound:mwFreebase |
197.446
|
|
chemicalCompound:alogp |
3.581
|
|
chemicalCompound:hba |
1
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
20.23
|
|
chemicalCompound:rtb |
0
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
7.101
|
|
chemicalCompound:acdLogP |
3.835
|
|
chemicalCompound:acdLogD |
3.36
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
197.446
|
|
chemicalCompound:chemblId |
CHEMBL109095
|
|
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:chebiParen... |
|
|
chemicalCompound:activity |
activity:822638,
activity:822639,
activity:822640,
activity:822641,
activity:822642,
activity:3920970,
activity:4651639,
activity:4783990,
activity:4790058,
activity:4841147,
activity:4980556,
activity:5567825,
activity:6448759,
activity:6553881,
activity:6562467,
activity:6754211,
activity:7047029,
activity:7475579,
activity:9351283,
activity:10302258
|
