|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C12H2F8N2O/c13-1-2(14)6(18)10-9(5(1)17)21-11-7(19)3(15)4(16)8(20)12(11)23-22-10/h21-22H
|
|
chemicalCompound:standardIn... |
NMQBEHUTYNQBMW-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Fc1c(F)c(F)c2[nH]c3c(F)c(F)c(F)c(F)c3[nH]oc2c1F
|
|
chemicalCompound:molecularF... |
C12 H2 F8 N2 O
|
|
chemicalCompound:moleculeId |
129940
|
|
chemicalCompound:mwFreebase |
342.144
|
|
chemicalCompound:alogp |
5.241
|
|
chemicalCompound:hba |
0
|
|
chemicalCompound:hbd |
2
|
|
chemicalCompound:psa |
44.72
|
|
chemicalCompound:rtb |
0
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
1
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
3.682
|
|
chemicalCompound:acdLogD |
3.682
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
342.144
|
|
chemicalCompound:chemblId |
CHEMBL78395
|
|
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 |
|
