|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C16H11BrN2/c1-19-15-7-6-11(17)8-10(15)9-14-16(19)12-4-2-3-5-13(12)18-14/h2-9H,1H3/p+1
|
|
chemicalCompound:standardIn... |
AZWJEYMOQAJBBN-UHFFFAOYSA-O
|
|
chemicalCompound:canonicalS... |
C[n+]1c2ccc(Br)cc2cc3[nH]c4ccccc4c13
|
|
chemicalCompound:molecularF... |
C16 H12 Br N2
|
|
chemicalCompound:moleculeId |
320572
|
|
chemicalCompound:mwFreebase |
312.184
|
|
chemicalCompound:alogp |
5.167
|
|
chemicalCompound:hba |
0
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
19.66
|
|
chemicalCompound:rtb |
0
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
1
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
11.681
|
|
chemicalCompound:acdLogP |
1.497
|
|
chemicalCompound:acdLogD |
1.497
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
312.184
|
|
chemicalCompound:chemblId |
CHEMBL364685
|
|
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 |
|
