|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H
|
|
chemicalCompound:standardIn... |
LQNUZADURLCDLV-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
[O-][N+](=O)c1ccccc1
|
|
chemicalCompound:molecularF... |
C6H5NO2
|
|
chemicalCompound:moleculeId |
16696
|
|
chemicalCompound:mwFreebase |
123.109
|
|
chemicalCompound:alogp |
1.724
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
45.82
|
|
chemicalCompound:rtb |
1
|
|
chemicalCompound:ro3Pass |
Y
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdLogP |
1.921
|
|
chemicalCompound:acdLogD |
1.921
|
|
chemicalCompound:fullMwt |
123.109
|
|
chemicalCompound:chemblId |
CHEMBL15750
|
|
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 |
NITROBENZENE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:41158,
activity:41159,
activity:133053,
activity:133054,
activity:133055,
activity:265291,
activity:473454,
activity:473455,
activity:473761,
activity:658000,
activity:831292,
activity:831293,
activity:831294,
activity:831295,
activity:831296,
activity:831297,
activity:831298,
activity:831299,
activity:831300,
activity:989524,
activity:989525,
activity:1504139,
activity:2143208,
activity:2143209,
activity:2385335,
activity:2456597,
activity:2456640,
activity:2456715,
activity:2456718,
activity:3646309,
activity:4139363,
activity:6337791,
activity:6337798,
activity:7458080
|
