rdf:type |
|
chemicalCompound:standardIn... |
InChI=1S/C7H4N2O2/c8-9-6-3-1-2-5(4-6)7(10)11/h1-4H
|
chemicalCompound:standardIn... |
JGDVEGYTXVVWGW-UHFFFAOYSA-N
|
chemicalCompound:canonicalS... |
[O-]C(=O)c1cccc(c1)[N+]#N
|
chemicalCompound:molecularF... |
C7 H4 N2 O2
|
chemicalCompound:moleculeId |
112419
|
chemicalCompound:mwFreebase |
148.119
|
chemicalCompound:alogp |
0.104
|
chemicalCompound:hba |
3
|
chemicalCompound:hbd |
0
|
chemicalCompound:psa |
68.28
|
chemicalCompound:rtb |
1
|
chemicalCompound:ro3Pass |
N
|
chemicalCompound:numRo5viol... |
0
|
chemicalCompound:medChemFri... |
Y
|
chemicalCompound:acdMostApk... |
2.442
|
chemicalCompound:molecularS... |
|
chemicalCompound:fullMwt |
148.119
|
chemicalCompound:chemblId |
CHEMBL71197
|
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 |
|