|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C15H8Cl2O3/c16-11-4-1-8(5-12(11)17)14-7-13(19)10-3-2-9(18)6-15(10)20-14/h1-7,18H
|
|
chemicalCompound:standardIn... |
MQRMQILQOBEOBP-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Oc1ccc2C(=O)C=C(Oc2c1)c3ccc(Cl)c(Cl)c3
|
|
chemicalCompound:molecularF... |
C15 H8 Cl2 O3
|
|
chemicalCompound:moleculeId |
18034
|
|
chemicalCompound:mwFreebase |
307.128
|
|
chemicalCompound:alogp |
4.223
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
46.53
|
|
chemicalCompound:rtb |
1
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
6.974
|
|
chemicalCompound:acdLogP |
3.819
|
|
chemicalCompound:acdLogD |
3.255
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
307.128
|
|
chemicalCompound:chemblId |
CHEMBL16500
|
|
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 |
|
