|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C11H8FNO/c12-9-3-5-10(6-4-9)14-11-2-1-7-13-8-11/h1-8H
|
|
chemicalCompound:standardIn... |
NXOWHXWXWXHPST-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Fc1ccc(Oc2cccnc2)cc1
|
|
chemicalCompound:molecularF... |
C11 H8 F N O
|
|
chemicalCompound:moleculeId |
193711
|
|
chemicalCompound:mwFreebase |
189.186
|
|
chemicalCompound:alogp |
2.445
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
22.12
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
Y
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
3.068
|
|
chemicalCompound:acdLogD |
3.067
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
189.186
|
|
chemicalCompound:acdMostBpk... |
4.317
|
|
chemicalCompound:chemblId |
CHEMBL116079
|
|
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 |
|
