|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C6H6N2O2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H,7H2
|
|
chemicalCompound:standardIn... |
DPJCXCZTLWNFOH-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Nc1ccccc1[N+](=O)[O-]
|
|
chemicalCompound:molecularF... |
C6 H6 N2 O2
|
|
chemicalCompound:moleculeId |
13468
|
|
chemicalCompound:mwFreebase |
138.124
|
|
chemicalCompound:alogp |
0.977
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
71.84
|
|
chemicalCompound:rtb |
1
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdLogP |
1.669
|
|
chemicalCompound:acdLogD |
1.669
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
138.124
|
|
chemicalCompound:chemblId |
CHEMBL274009
|
|
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 |
2-NITROANILINE
|
|
chemicalCompound:activity |
activity:766560,
activity:766561,
activity:766562,
activity:766563,
activity:766564,
activity:766565,
activity:1506182,
activity:1879169,
activity:1879288,
activity:1879289,
activity:1879415,
activity:1879485,
activity:1879611,
activity:6739400,
activity:6754226
|
