|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C6H7NO/c7-5-2-1-3-6(8)4-5/h1-4,8H,7H2
|
|
chemicalCompound:standardIn... |
CWLKGDAVCFYWJK-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Nc1cccc(O)c1
|
|
chemicalCompound:molecularF... |
C6 H7 N O
|
|
chemicalCompound:moleculeId |
5425
|
|
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... |
10.014
|
|
chemicalCompound:acdLogP |
0.611
|
|
chemicalCompound:acdLogD |
0.609
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
109.126
|
|
chemicalCompound:acdMostBpk... |
4.304
|
|
chemicalCompound:chemblId |
CHEMBL269755
|
|
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 |
3-AMINOPHENOL
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:302044,
activity:302045,
activity:302046,
activity:791309,
activity:791310,
activity:791311,
activity:791312,
activity:791313,
activity:1845267,
activity:1845461,
activity:3933141,
activity:4194020,
activity:4267522,
activity:4313771,
activity:5957758,
activity:6479234,
activity:6739334,
activity:6801802
|
