|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C20H12O/c21-16-7-9-17-15(11-16)10-14-5-4-12-2-1-3-13-6-8-18(17)20(14)19(12)13/h1-11,21H
|
|
chemicalCompound:standardIn... |
OWEZWMDNHHTXJU-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Oc1ccc2c(c1)cc3ccc4cccc5ccc2c3c45
|
|
chemicalCompound:molecularF... |
C20H12O
|
|
chemicalCompound:moleculeId |
1248599
|
|
chemicalCompound:mwFreebase |
268.309
|
|
chemicalCompound:alogp |
4.611
|
|
chemicalCompound:hba |
1
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
20.23
|
|
chemicalCompound:rtb |
0
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
9.57
|
|
chemicalCompound:acdLogP |
5.551
|
|
chemicalCompound:acdLogD |
5.548
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
268.309
|
|
chemicalCompound:chemblId |
CHEMBL1908057
|
|
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 |
|
