|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C6H4N2O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H
|
|
chemicalCompound:standardIn... |
WDCYWAQPCXBPJA-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
[O-][N+](=O)c1cccc(c1)[N+](=O)[O-]
|
|
chemicalCompound:molecularF... |
C6H4N2O4
|
|
chemicalCompound:moleculeId |
190522
|
|
chemicalCompound:mwFreebase |
168.107
|
|
chemicalCompound:alogp |
1.618
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
91.63
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdLogP |
1.582
|
|
chemicalCompound:acdLogD |
1.582
|
|
chemicalCompound:fullMwt |
168.107
|
|
chemicalCompound:chemblId |
CHEMBL114070
|
|
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:prefName |
DINITROPHENYLENE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:470670,
activity:470671,
activity:650761,
activity:3661963,
activity:3940378,
activity:4635216,
activity:4674538,
activity:4715318,
activity:5316488,
activity:7464498,
activity:7840043,
activity:9346975
|
