|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C16H10F2O2/c17-14-7-11(9-2-4-16(20)15(18)6-9)5-10-1-3-12(19)8-13(10)14/h1-8,19-20H
|
|
chemicalCompound:standardIn... |
TYSOZDHVMFAZKD-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Oc1ccc2cc(cc(F)c2c1)c3ccc(O)c(F)c3
|
|
chemicalCompound:molecularF... |
C16 H10 F2 O2
|
|
chemicalCompound:moleculeId |
323140
|
|
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... |
8.117
|
|
chemicalCompound:acdLogP |
4.06
|
|
chemicalCompound:acdLogD |
3.982
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
272.246
|
|
chemicalCompound:chemblId |
CHEMBL363425
|
|
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 |
|
