|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C16H12O2/c17-14-5-1-3-11(10-14)12-7-8-15-13(9-12)4-2-6-16(15)18/h1-10,17-18H
|
|
chemicalCompound:standardIn... |
HXKYTCGOCJUQSE-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Oc1cccc(c1)c2ccc3c(O)cccc3c2
|
|
chemicalCompound:molecularF... |
C16 H12 O2
|
|
chemicalCompound:moleculeId |
323192
|
|
chemicalCompound:mwFreebase |
236.265
|
|
chemicalCompound:alogp |
3.772
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
2
|
|
chemicalCompound:psa |
40.46
|
|
chemicalCompound:rtb |
1
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
9.308
|
|
chemicalCompound:acdLogP |
4.022
|
|
chemicalCompound:acdLogD |
4.014
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
236.265
|
|
chemicalCompound:chemblId |
CHEMBL193010
|
|
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 |
|
