|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C12H6O2S/c13-10-7-3-1-2-4-8(7)11(14)12-9(10)5-6-15-12/h1-6H
|
|
chemicalCompound:standardIn... |
GDUFLCCHLCZVCJ-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
O=C1c2ccccc2C(=O)c3sccc13
|
|
chemicalCompound:molecularF... |
C12H6O2S
|
|
chemicalCompound:moleculeId |
98949
|
|
chemicalCompound:mwFreebase |
214.24
|
|
chemicalCompound:alogp |
2.761
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
62.38
|
|
chemicalCompound:rtb |
0
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
2.585
|
|
chemicalCompound:acdLogD |
2.585
|
|
chemicalCompound:fullMwt |
214.24
|
|
chemicalCompound:chemblId |
CHEMBL302418
|
|
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:prefName |
THIOPHENONAPHTHOQUINONE
|
|
chemicalCompound:activity |
|
