|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C3H4O/c1-2-3-4/h2-3H,1H2
|
|
chemicalCompound:standardIn... |
HGINCPLSRVDWNT-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
C=CC=O
|
|
chemicalCompound:molecularF... |
C3H4O
|
|
chemicalCompound:moleculeId |
35895
|
|
chemicalCompound:mwFreebase |
56.0633
|
|
chemicalCompound:alogp |
0.515
|
|
chemicalCompound:hba |
1
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
17.07
|
|
chemicalCompound:rtb |
1
|
|
chemicalCompound:ro3Pass |
Y
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdLogP |
0.263
|
|
chemicalCompound:acdLogD |
0.263
|
|
chemicalCompound:fullMwt |
56.0633
|
|
chemicalCompound:chemblId |
CHEMBL721
|
|
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 |
ACROLEIN
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:454405,
activity:454406,
activity:510558,
activity:1292245,
activity:1292246,
activity:2146828,
activity:2588918,
activity:2588923,
activity:2588928,
activity:2588933,
activity:3301099,
activity:3914028,
activity:4164932,
activity:4731137,
activity:4980629,
activity:6073951,
activity:7054381
|
