|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C18H14/c1-2-6-15(7-3-1)10-11-16-12-13-17-8-4-5-9-18(17)14-16/h1-14H/b11-10+
|
|
chemicalCompound:standardIn... |
AXGWOAHWOMYXLE-ZHACJKMWSA-N
|
|
chemicalCompound:canonicalS... |
C(=C\c1ccc2ccccc2c1)/c3ccccc3
|
|
chemicalCompound:molecularF... |
C18 H14
|
|
chemicalCompound:moleculeId |
361948
|
|
chemicalCompound:mwFreebase |
230.304
|
|
chemicalCompound:alogp |
4.724
|
|
chemicalCompound:hba |
0
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
0
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
5.07
|
|
chemicalCompound:acdLogD |
5.07
|
|
chemicalCompound:fullMwt |
230.304
|
|
chemicalCompound:chemblId |
CHEMBL215214
|
|
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 |
|
