|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C15H10O5/c16-8-1-3-10(13(18)5-8)12-7-20-14-6-9(17)2-4-11(14)15(12)19/h1-7,16-18H
|
|
chemicalCompound:standardIn... |
ZCTNPCRBEWXCGP-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Oc1ccc(C2=COc3cc(O)ccc3C2=O)c(O)c1
|
|
chemicalCompound:molecularF... |
C15 H10 O5
|
|
chemicalCompound:moleculeId |
1565
|
|
chemicalCompound:mwFreebase |
270.237
|
|
chemicalCompound:alogp |
2.14
|
|
chemicalCompound:hba |
5
|
|
chemicalCompound:hbd |
3
|
|
chemicalCompound:psa |
86.99
|
|
chemicalCompound:rtb |
1
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
6.847
|
|
chemicalCompound:acdLogP |
2.435
|
|
chemicalCompound:acdLogD |
1.78
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
270.237
|
|
chemicalCompound:chemblId |
CHEMBL6694
|
|
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:chebiParen... |
|
|
chemicalCompound:activity |
|
