|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C6H5ClO/c7-5-3-1-2-4-6(5)8/h1-4,8H
|
|
chemicalCompound:standardIn... |
ISPYQTSUDJAMAB-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Oc1ccccc1Cl
|
|
chemicalCompound:molecularF... |
C6H5ClO
|
|
chemicalCompound:moleculeId |
178653
|
|
chemicalCompound:mwFreebase |
128.556
|
|
chemicalCompound:alogp |
2.252
|
|
chemicalCompound:hba |
1
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
20.23
|
|
chemicalCompound:rtb |
0
|
|
chemicalCompound:ro3Pass |
Y
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
8.497
|
|
chemicalCompound:acdLogP |
2.22
|
|
chemicalCompound:acdLogD |
2.186
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
128.556
|
|
chemicalCompound:chemblId |
CHEMBL108877
|
|
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:prefName |
2-CHLOROPHENOL
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:823828,
activity:823829,
activity:823830,
activity:823831,
activity:823832,
activity:1506074,
activity:1845357,
activity:1845485,
activity:1879171,
activity:1879292,
activity:1879293,
activity:1879417,
activity:1879483,
activity:1879613,
activity:2461309,
activity:4163950,
activity:6754301,
activity:6957321
|
