|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C16H10Cl2N2/c1-20-13-5-3-2-4-11(13)14(18)15-16(20)10-7-6-9(17)8-12(10)19-15/h2-8H,1H3/p+1
|
|
chemicalCompound:standardIn... |
JSQTYHIYRFYQOA-UHFFFAOYSA-O
|
|
chemicalCompound:canonicalS... |
C[n+]1c2ccccc2c(Cl)c3[nH]c4cc(Cl)ccc4c13
|
|
chemicalCompound:molecularF... |
C16 H11 Cl2 N2
|
|
chemicalCompound:moleculeId |
320256
|
|
chemicalCompound:mwFreebase |
302.178
|
|
chemicalCompound:alogp |
5.747
|
|
chemicalCompound:hba |
0
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
19.66
|
|
chemicalCompound:rtb |
0
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
1
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
10.548
|
|
chemicalCompound:acdLogP |
2.044
|
|
chemicalCompound:acdLogD |
2.045
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
302.178
|
|
chemicalCompound:chemblId |
CHEMBL189840
|
|
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 |
|
