rdf:type |
|
chemicalCompound:standardIn... |
InChI=1S/C2H3N/c1-2-3/h1H3
|
chemicalCompound:standardIn... |
WEVYAHXRMPXWCK-UHFFFAOYSA-N
|
chemicalCompound:canonicalS... |
CC#N
|
chemicalCompound:molecularF... |
C2H3N
|
chemicalCompound:moleculeId |
67897
|
chemicalCompound:mwFreebase |
41.0519
|
chemicalCompound:alogp |
0.044
|
chemicalCompound:hba |
1
|
chemicalCompound:hbd |
0
|
chemicalCompound:psa |
23.79
|
chemicalCompound:rtb |
0
|
chemicalCompound:ro3Pass |
Y
|
chemicalCompound:numRo5viol... |
0
|
chemicalCompound:medChemFri... |
Y
|
chemicalCompound:acdLogP |
-0.334
|
chemicalCompound:acdLogD |
-0.334
|
chemicalCompound:fullMwt |
41.0519
|
chemicalCompound:chemblId |
CHEMBL45211
|
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 |
ACETONITRILE
|
chemicalCompound:chebiParen... |
|
chemicalCompound:activity |
|