|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3
|
|
chemicalCompound:standardIn... |
RLSSMJSEOOYNOY-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Cc1cccc(O)c1
|
|
chemicalCompound:molecularF... |
C7H8O
|
|
chemicalCompound:moleculeId |
66996
|
|
chemicalCompound:mwFreebase |
108.138
|
|
chemicalCompound:alogp |
2.074
|
|
chemicalCompound:hba |
1
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
20.23
|
|
chemicalCompound:rtb |
0
|
|
chemicalCompound:ro3Pass |
Y
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
10.072
|
|
chemicalCompound:acdLogP |
2.043
|
|
chemicalCompound:acdLogD |
2.042
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
108.138
|
|
chemicalCompound:chemblId |
CHEMBL298312
|
|
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 |
M-CRESOL
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:656683,
activity:793697,
activity:793698,
activity:793699,
activity:793700,
activity:793701,
activity:1024393,
activity:1092639,
activity:1092640,
activity:1506197,
activity:1845264,
activity:1845305,
activity:1845427,
activity:1845464,
activity:2319917,
activity:2385286,
activity:2423969,
activity:2423978,
activity:2423988,
activity:2423995,
activity:2424006,
activity:2424013,
activity:2424027,
activity:2424052,
activity:2424092,
activity:5526991,
activity:6447115,
activity:6962196,
activity:7063273
|
