|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H
|
|
chemicalCompound:standardIn... |
ISWSIDIOOBJBQZ-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Oc1ccccc1
|
|
chemicalCompound:molecularF... |
C6H6O
|
|
chemicalCompound:moleculeId |
13456
|
|
chemicalCompound:mwFreebase |
94.1112
|
|
chemicalCompound:alogp |
1.588
|
|
chemicalCompound:hba |
1
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
20.23
|
|
chemicalCompound:rtb |
0
|
|
chemicalCompound:ro3Pass |
Y
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
9.862
|
|
chemicalCompound:acdLogP |
1.54
|
|
chemicalCompound:acdLogD |
1.539
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
94.1112
|
|
chemicalCompound:chemblId |
CHEMBL14060
|
|
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 |
PHENOL
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:52395,
activity:52396,
activity:131780,
activity:131781,
activity:131782,
activity:166548,
activity:166549,
activity:200890,
activity:229759,
activity:229760,
activity:229761,
activity:299969,
activity:314601,
activity:314602,
activity:314603,
activity:314604,
activity:327770,
activity:377709,
activity:377710,
activity:377711,
activity:494025,
activity:555931,
activity:555932,
activity:562849,
activity:562850,
activity:640352,
activity:640353,
activity:640354,
activity:756770,
activity:756771,
activity:756772,
activity:756773,
activity:756774,
activity:756775,
activity:791304,
activity:791305,
activity:791306,
activity:791307,
activity:791308,
activity:1011621,
activity:1011622,
activity:1011623,
activity:1504144,
activity:1508992,
activity:1737737,
activity:1737746,
activity:1737751,
activity:1737754,
activity:1737760,
activity:1737898,
activity:1738321,
activity:1738322,
activity:1738324,
activity:1738327,
activity:1738330,
activity:1738332,
activity:1845273,
activity:1845386,
activity:1845387,
activity:1845388,
activity:1845407,
activity:1845408,
activity:1845454
|
