|
rdf:type |
|
|
chemicalCompound:parent |
|
|
chemicalCompound:standardIn... |
InChI=1S/C19H15N2O4.ClH/c1-24-18-10-12-7-8-20-16-6-4-14(21(22)23)9-13(16)3-5-17(20)15(12)11-19(18)25-2;/h3-11H,1-2H3;1H/q+1;/p-1
|
|
chemicalCompound:standardIn... |
GUSRGVFRDIWAEY-UHFFFAOYSA-M
|
|
chemicalCompound:canonicalS... |
[Cl-].COc1cc2cc[n+]3c4ccc(cc4ccc3c2cc1OC)[N+](=O)[O-]
|
|
chemicalCompound:molecularF... |
C19H15ClN2O4
|
|
chemicalCompound:moleculeId |
608424
|
|
chemicalCompound:mwFreebase |
335.333
|
|
chemicalCompound:alogp |
3.937
|
|
chemicalCompound:hba |
0
|
|
chemicalCompound:hbd |
3
|
|
chemicalCompound:psa |
68.38
|
|
chemicalCompound:rtb |
4
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdLogP |
1.346
|
|
chemicalCompound:acdLogD |
1.346
|
|
chemicalCompound:fullMwt |
370.786
|
|
chemicalCompound:chemblId |
CHEMBL609717
|
|
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 |
|
