|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C19H16Cl2O3/c1-10(2)23-16-8-11(3)4-6-13(16)19-17(21)18(22)14-9-12(20)5-7-15(14)24-19/h4-10H,1-3H3
|
|
chemicalCompound:standardIn... |
PWGZOUCWGRTPSM-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CC(C)Oc1cc(C)ccc1C2=C(Cl)C(=O)c3cc(Cl)ccc3O2
|
|
chemicalCompound:molecularF... |
C19 H16 Cl2 O3
|
|
chemicalCompound:moleculeId |
142298
|
|
chemicalCompound:mwFreebase |
363.235
|
|
chemicalCompound:alogp |
5.365
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
35.53
|
|
chemicalCompound:rtb |
3
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
1
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
6.725
|
|
chemicalCompound:acdLogD |
6.725
|
|
chemicalCompound:fullMwt |
363.235
|
|
chemicalCompound:chemblId |
CHEMBL89093
|
|
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 |
|
