|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C13H9ClFNO/c14-11-3-7-13(8-4-11)16(17)9-10-1-5-12(15)6-2-10/h1-9H/b16-9+
|
|
chemicalCompound:standardIn... |
HRFRFKGHIGSDJE-CXUHLZMHSA-N
|
|
chemicalCompound:canonicalS... |
[O-]\[N+](=C\c1ccc(F)cc1)\c2ccc(Cl)cc2
|
|
chemicalCompound:molecularF... |
C13H9ClFNO
|
|
chemicalCompound:moleculeId |
1033642
|
|
chemicalCompound:mwFreebase |
249.668
|
|
chemicalCompound:alogp |
3.367
|
|
chemicalCompound:hba |
1
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
28.75
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdLogP |
2.657
|
|
chemicalCompound:acdLogD |
2.657
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
249.668
|
|
chemicalCompound:chemblId |
CHEMBL1609758
|
|
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 |
activity:4029480,
activity:4157470,
activity:4371912,
activity:4516990,
activity:4537909,
activity:4543388,
activity:4724508,
activity:4759540,
activity:5454571,
activity:5558863,
activity:5679194,
activity:5733212,
activity:5921083,
activity:6429106,
activity:6471803,
activity:7039056,
activity:7086645,
activity:7424453,
activity:7434229,
activity:9791448,
activity:10433544
|
