|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C2H7N/c1-2-3/h2-3H2,1H3
|
|
chemicalCompound:standardIn... |
QUSNBJAOOMFDIB-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CCN
|
|
chemicalCompound:molecularF... |
C2H7N
|
|
chemicalCompound:moleculeId |
13397
|
|
chemicalCompound:mwFreebase |
45.0837
|
|
chemicalCompound:alogp |
-0.299
|
|
chemicalCompound:hba |
1
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
26.02
|
|
chemicalCompound:rtb |
0
|
|
chemicalCompound:ro3Pass |
Y
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
0.037
|
|
chemicalCompound:acdLogD |
-2.825
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
45.0837
|
|
chemicalCompound:acdMostBpk... |
10.636
|
|
chemicalCompound:chemblId |
CHEMBL14449
|
|
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 |
ETHYLAMINE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:203335,
activity:269124,
activity:653183,
activity:758014,
activity:758015,
activity:758016,
activity:758017,
activity:758018,
activity:758019,
activity:1101135,
activity:1504125,
activity:2556726
|
