|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C31H64/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-31H2,1-2H3
|
|
chemicalCompound:standardIn... |
IUJAMGNYPWYUPM-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
|
|
chemicalCompound:molecularF... |
C31H64
|
|
chemicalCompound:moleculeId |
439412
|
|
chemicalCompound:mwFreebase |
436.84
|
|
chemicalCompound:alogp |
14.513
|
|
chemicalCompound:hba |
0
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
0
|
|
chemicalCompound:rtb |
28
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
1
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdLogP |
16.501
|
|
chemicalCompound:acdLogD |
16.501
|
|
chemicalCompound:fullMwt |
436.84
|
|
chemicalCompound:chemblId |
CHEMBL257490
|
|
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 |
HENTRIACONTANE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
|
