|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C11H9ClO/c1-2-10(13)8-7-9-5-3-4-6-11(9)12/h2-8H,1H2/b8-7+
|
|
chemicalCompound:standardIn... |
DIYSCNLXRVKMMK-BQYQJAHWSA-N
|
|
chemicalCompound:canonicalS... |
Clc1ccccc1\C=C\C(=O)C=C
|
|
chemicalCompound:molecularF... |
C11 H9 Cl O
|
|
chemicalCompound:moleculeId |
374797
|
|
chemicalCompound:mwFreebase |
192.642
|
|
chemicalCompound:alogp |
3.39
|
|
chemicalCompound:hba |
1
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
17.07
|
|
chemicalCompound:rtb |
3
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdLogP |
2.117
|
|
chemicalCompound:acdLogD |
2.117
|
|
chemicalCompound:fullMwt |
192.642
|
|
chemicalCompound:chemblId |
CHEMBL224976
|
|
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 |
activity:1846454,
activity:1846455,
activity:1846456,
activity:1846457,
activity:1846458,
activity:1846459,
activity:1846460,
activity:1846467,
activity:1846471,
activity:1846475,
activity:1846477,
activity:1846479,
activity:1846482,
activity:1846490,
activity:1846493
|
