|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C14H10ClNO2/c1-10(16-9-3-2-4-13(16)17)14(18)11-5-7-12(15)8-6-11/h2-9H,1H2
|
|
chemicalCompound:standardIn... |
CSEDGWVKRDWZEH-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Clc1ccc(cc1)C(=O)C(=C)N2C=CC=CC2=O
|
|
chemicalCompound:molecularF... |
C14 H10 Cl N O2
|
|
chemicalCompound:moleculeId |
52579
|
|
chemicalCompound:mwFreebase |
259.688
|
|
chemicalCompound:alogp |
2.264
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
37.38
|
|
chemicalCompound:rtb |
3
|
|
chemicalCompound:ro3Pass |
Y
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdLogP |
2.608
|
|
chemicalCompound:acdLogD |
2.608
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
259.688
|
|
chemicalCompound:chemblId |
CHEMBL36314
|
|
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 |
|
