|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C14H8O3/c15-11-7-3-6-10-12(11)14(17)9-5-2-1-4-8(9)13(10)16/h1-7,15H
|
|
chemicalCompound:standardIn... |
BTLXPCBPYBNQNR-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Oc1cccc2C(=O)c3ccccc3C(=O)c12
|
|
chemicalCompound:molecularF... |
C14H8O3
|
|
chemicalCompound:moleculeId |
448359
|
|
chemicalCompound:mwFreebase |
224.212
|
|
chemicalCompound:alogp |
2.566
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
54.37
|
|
chemicalCompound:rtb |
0
|
|
chemicalCompound:ro3Pass |
Y
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
7.149
|
|
chemicalCompound:acdLogP |
3.53
|
|
chemicalCompound:acdLogD |
3.086
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
224.212
|
|
chemicalCompound:chemblId |
CHEMBL501834
|
|
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 |
|
