|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C6H7NO/c7-5-1-3-6(8)4-2-5/h1-4,8H,7H2
|
|
chemicalCompound:standardIn... |
PLIKAWJENQZMHA-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Nc1ccc(O)cc1
|
|
chemicalCompound:molecularF... |
C6H7NO
|
|
chemicalCompound:moleculeId |
178581
|
|
chemicalCompound:mwFreebase |
109.126
|
|
chemicalCompound:alogp |
0.841
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
2
|
|
chemicalCompound:psa |
46.25
|
|
chemicalCompound:rtb |
0
|
|
chemicalCompound:ro3Pass |
Y
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
10.173
|
|
chemicalCompound:acdLogP |
0.013
|
|
chemicalCompound:acdLogD |
0.009
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
109.126
|
|
chemicalCompound:acdMostBpk... |
5.283
|
|
chemicalCompound:chemblId |
CHEMBL1142
|
|
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 |
4-AMINOPHENOL
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:808284,
activity:808285,
activity:808286,
activity:808287,
activity:808288,
activity:1998558,
activity:1998572,
activity:2172301,
activity:2172311,
activity:2172322,
activity:2572980,
activity:2572989,
activity:2572998,
activity:2573007,
activity:2573016,
activity:2573025,
activity:2573034,
activity:2573043,
activity:2573052,
activity:2573061,
activity:2573070,
activity:2573079,
activity:3126130,
activity:3126131,
activity:3607806,
activity:3656396,
activity:3658580,
activity:3698476,
activity:3768728,
activity:3769522,
activity:3773608,
activity:3774846,
activity:3777934,
activity:3778947,
activity:3894631,
activity:3902903,
activity:3904813,
activity:3919757,
activity:3950123,
activity:3951383,
activity:3991805,
activity:4057265,
activity:4078803,
activity:4106429,
activity:4190221,
activity:4291506,
activity:4371331,
activity:4467793,
activity:4587262,
activity:4674496,
activity:4675085,
activity:4686508,
activity:4717898,
activity:4723540,
activity:4749391,
activity:4783697,
activity:4835749,
activity:4865175,
activity:4872710,
activity:4876654,
activity:4877616,
activity:4896458,
activity:4901642
|
