|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C20H12O/c21-16-8-6-14-10-15-5-4-12-2-1-3-13-7-9-17(18(14)11-16)20(15)19(12)13/h1-11,21H
|
|
chemicalCompound:standardIn... |
OBBBXCAFTKLFGZ-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Oc1ccc2cc3ccc4cccc5ccc(c2c1)c3c45
|
|
chemicalCompound:molecularF... |
C20 H12 O
|
|
chemicalCompound:moleculeId |
274186
|
|
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 |
CHEMBL351406
|
|
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 |
|
