|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C6H3Cl3/c7-4-1-2-5(8)6(9)3-4/h1-3H
|
|
chemicalCompound:standardIn... |
PBKONEOXTCPAFI-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Clc1ccc(Cl)c(Cl)c1
|
|
chemicalCompound:molecularF... |
C6 H3 Cl3
|
|
chemicalCompound:moleculeId |
67277
|
|
chemicalCompound:mwFreebase |
181.447
|
|
chemicalCompound:alogp |
3.823
|
|
chemicalCompound:hba |
0
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
0
|
|
chemicalCompound:rtb |
0
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
4.102
|
|
chemicalCompound:acdLogD |
4.102
|
|
chemicalCompound:fullMwt |
181.447
|
|
chemicalCompound:chemblId |
CHEMBL296348
|
|
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 |
|
