|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C16H12O/c17-16-9-8-14-10-13(6-7-15(14)11-16)12-4-2-1-3-5-12/h1-11,17H
|
|
chemicalCompound:standardIn... |
PZOXFBPKKGTQDZ-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Oc1ccc2cc(ccc2c1)c3ccccc3
|
|
chemicalCompound:molecularF... |
C16 H12 O
|
|
chemicalCompound:moleculeId |
322725
|
|
chemicalCompound:mwFreebase |
220.266
|
|
chemicalCompound:alogp |
4.014
|
|
chemicalCompound:hba |
1
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
20.23
|
|
chemicalCompound:rtb |
1
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
9.538
|
|
chemicalCompound:acdLogP |
4.639
|
|
chemicalCompound:acdLogD |
4.636
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
220.266
|
|
chemicalCompound:chemblId |
CHEMBL191714
|
|
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:activity |
|
