rdf:type |
|
chemicalCompound:standardIn... |
InChI=1S/C18H39N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-19H2,1H3
|
chemicalCompound:standardIn... |
REYJJPSVUYRZGE-UHFFFAOYSA-N
|
chemicalCompound:canonicalS... |
CCCCCCCCCCCCCCCCCCN
|
chemicalCompound:molecularF... |
C18 H39 N
|
chemicalCompound:moleculeId |
83540
|
chemicalCompound:mwFreebase |
269.509
|
chemicalCompound:alogp |
7.067
|
chemicalCompound:hba |
1
|
chemicalCompound:hbd |
1
|
chemicalCompound:psa |
26.02
|
chemicalCompound:rtb |
16
|
chemicalCompound:ro3Pass |
N
|
chemicalCompound:numRo5viol... |
1
|
chemicalCompound:medChemFri... |
N
|
chemicalCompound:acdLogP |
8.189
|
chemicalCompound:acdLogD |
5.313
|
chemicalCompound:molecularS... |
|
chemicalCompound:fullMwt |
269.509
|
chemicalCompound:acdMostBpk... |
10.669
|
chemicalCompound:chemblId |
CHEMBL55860
|
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 |
OCTADECYLAMINE
|
chemicalCompound:activity |
|