|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C15H9Cl2FO/c1-9(13-7-4-11(16)8-14(13)17)15(19)10-2-5-12(18)6-3-10/h2-8H,1H2
|
|
chemicalCompound:standardIn... |
XIPHLJFTBFXVBS-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Fc1ccc(cc1)C(=O)C(=C)c2ccc(Cl)cc2Cl
|
|
chemicalCompound:molecularF... |
C15 H9 Cl2 F O
|
|
chemicalCompound:moleculeId |
51968
|
|
chemicalCompound:mwFreebase |
295.136
|
|
chemicalCompound:alogp |
5.28
|
|
chemicalCompound:hba |
1
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
17.07
|
|
chemicalCompound:rtb |
3
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
1
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdLogP |
4.679
|
|
chemicalCompound:acdLogD |
4.679
|
|
chemicalCompound:fullMwt |
295.136
|
|
chemicalCompound:chemblId |
CHEMBL286931
|
|
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 |
|
