|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H
|
|
chemicalCompound:standardIn... |
UHOVQNZJYSORNB-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
c1ccccc1
|
|
chemicalCompound:molecularF... |
C6H6
|
|
chemicalCompound:moleculeId |
16832
|
|
chemicalCompound:mwFreebase |
78.1118
|
|
chemicalCompound:alogp |
1.829
|
|
chemicalCompound:hba |
0
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
0
|
|
chemicalCompound:rtb |
0
|
|
chemicalCompound:ro3Pass |
Y
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
2.177
|
|
chemicalCompound:acdLogD |
2.177
|
|
chemicalCompound:fullMwt |
78.1118
|
|
chemicalCompound:chemblId |
CHEMBL277500
|
|
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 |
BENZENE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:289731,
activity:407007,
activity:484674,
activity:861497,
activity:861498,
activity:861499,
activity:861500,
activity:861501,
activity:861502,
activity:861503,
activity:861504,
activity:861505,
activity:1001513,
activity:1001514,
activity:1001515,
activity:1001516,
activity:1506326,
activity:1508977,
activity:2385337,
activity:3915749,
activity:3916488,
activity:4751069,
activity:4751251,
activity:4842796,
activity:6260335,
activity:6260379,
activity:6260423,
activity:6261189,
activity:6445157,
activity:7062963
|
