|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C6H3Cl2NO2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H
|
|
chemicalCompound:standardIn... |
NTBYINQTYWZXLH-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
[O-][N+](=O)c1ccc(Cl)c(Cl)c1
|
|
chemicalCompound:molecularF... |
C6 H3 Cl2 N O2
|
|
chemicalCompound:moleculeId |
277430
|
|
chemicalCompound:mwFreebase |
192
|
|
chemicalCompound:alogp |
3.053
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
45.82
|
|
chemicalCompound:rtb |
1
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdLogP |
3.009
|
|
chemicalCompound:acdLogD |
3.009
|
|
chemicalCompound:fullMwt |
192
|
|
chemicalCompound:chemblId |
CHEMBL167468
|
|
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 |
|
