|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C13H10O3/c14-11-7-3-1-5-9(11)13(16)10-6-2-4-8-12(10)15/h1-8,14-15H
|
|
chemicalCompound:standardIn... |
YIYBRXKMQFDHSM-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Oc1ccccc1C(=O)c2ccccc2O
|
|
chemicalCompound:molecularF... |
C13H10O3
|
|
chemicalCompound:moleculeId |
205064
|
|
chemicalCompound:mwFreebase |
214.217
|
|
chemicalCompound:alogp |
2.75
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
2
|
|
chemicalCompound:psa |
57.53
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
Y
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
7.323
|
|
chemicalCompound:acdLogP |
3.845
|
|
chemicalCompound:acdLogD |
3.465
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
214.217
|
|
chemicalCompound:chemblId |
CHEMBL124241
|
|
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 |
|
