|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C4H4O/c1-2-4-5-3-1/h1-4H
|
|
chemicalCompound:standardIn... |
YLQBMQCUIZJEEH-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
o1cccc1
|
|
chemicalCompound:molecularF... |
C4 H4 O
|
|
chemicalCompound:moleculeId |
16512
|
|
chemicalCompound:mwFreebase |
68.074
|
|
chemicalCompound:alogp |
0.933
|
|
chemicalCompound:hba |
0
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
13.14
|
|
chemicalCompound:rtb |
0
|
|
chemicalCompound:ro3Pass |
Y
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
1.736
|
|
chemicalCompound:acdLogD |
1.736
|
|
chemicalCompound:fullMwt |
68.074
|
|
chemicalCompound:chemblId |
CHEMBL278980
|
|
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 |
FURAN
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
|
