|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C16H10F2O2/c17-14-7-13(20)8-15(18)16(14)11-2-1-10-6-12(19)4-3-9(10)5-11/h1-8,19-20H
|
|
chemicalCompound:standardIn... |
AUZLISXBMGKYGA-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Oc1ccc2cc(ccc2c1)c3c(F)cc(O)cc3F
|
|
chemicalCompound:molecularF... |
C16 H10 F2 O2
|
|
chemicalCompound:moleculeId |
323184
|
|
chemicalCompound:mwFreebase |
272.246
|
|
chemicalCompound:alogp |
4.183
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
2
|
|
chemicalCompound:psa |
40.46
|
|
chemicalCompound:rtb |
1
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
7.722
|
|
chemicalCompound:acdLogP |
4.825
|
|
chemicalCompound:acdLogD |
4.659
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
272.246
|
|
chemicalCompound:chemblId |
CHEMBL192621
|
|
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 |
|
