|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C3H9N/c1-4(2)3/h1-3H3
|
|
chemicalCompound:standardIn... |
GETQZCLCWQTVFV-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CN(C)C
|
|
chemicalCompound:molecularF... |
C3H9N
|
|
chemicalCompound:moleculeId |
16810
|
|
chemicalCompound:mwFreebase |
59.1103
|
|
chemicalCompound:alogp |
0.32
|
|
chemicalCompound:hba |
1
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
3.24
|
|
chemicalCompound:rtb |
0
|
|
chemicalCompound:ro3Pass |
Y
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
0.119
|
|
chemicalCompound:acdLogD |
-2.162
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
59.1103
|
|
chemicalCompound:acdMostBpk... |
9.75
|
|
chemicalCompound:chemblId |
CHEMBL439723
|
|
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 |
TRIMETHYLAMMONIUM
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
|
