|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C10H5FO3/c11-7-1-2-9-8(3-7)10(13)6(4-12)5-14-9/h1-5H
|
|
chemicalCompound:standardIn... |
VHRMOTNEBIKURN-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Fc1ccc2OC=C(C=O)C(=O)c2c1
|
|
chemicalCompound:molecularF... |
C10 H5 F O3
|
|
chemicalCompound:moleculeId |
138343
|
|
chemicalCompound:mwFreebase |
192.143
|
|
chemicalCompound:alogp |
1.205
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
43.37
|
|
chemicalCompound:rtb |
1
|
|
chemicalCompound:ro3Pass |
Y
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
1.245
|
|
chemicalCompound:acdLogD |
1.245
|
|
chemicalCompound:fullMwt |
192.143
|
|
chemicalCompound:chemblId |
CHEMBL87768
|
|
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 |
|
