|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C14H11N/c15-14-7-3-6-12-8-10-4-1-2-5-11(10)9-13(12)14/h1-9H,15H2
|
|
chemicalCompound:standardIn... |
YUENFNPLGJCNRB-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Nc1cccc2cc3ccccc3cc12
|
|
chemicalCompound:molecularF... |
C14H11N
|
|
chemicalCompound:moleculeId |
134221
|
|
chemicalCompound:mwFreebase |
193.244
|
|
chemicalCompound:alogp |
2.9
|
|
chemicalCompound:hba |
1
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
26.02
|
|
chemicalCompound:rtb |
0
|
|
chemicalCompound:ro3Pass |
Y
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
3.504
|
|
chemicalCompound:acdLogD |
3.504
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
193.244
|
|
chemicalCompound:acdMostBpk... |
4.21
|
|
chemicalCompound:chemblId |
CHEMBL82321
|
|
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:chebiParen... |
|
|
chemicalCompound:activity |
|
