|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9H
|
|
chemicalCompound:standardIn... |
WQGWDDDVZFFDIG-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Oc1cccc(O)c1O
|
|
chemicalCompound:molecularF... |
C6H6O3
|
|
chemicalCompound:moleculeId |
120669
|
|
chemicalCompound:mwFreebase |
126.11
|
|
chemicalCompound:alogp |
1.103
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
3
|
|
chemicalCompound:psa |
60.69
|
|
chemicalCompound:rtb |
0
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
9.284
|
|
chemicalCompound:acdLogP |
0.061
|
|
chemicalCompound:acdLogD |
0.053
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
126.11
|
|
chemicalCompound:chemblId |
CHEMBL307145
|
|
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 |
PYROGALLOL
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:34877,
activity:83966,
activity:83967,
activity:83968,
activity:83969,
activity:83970,
activity:1821452,
activity:1821515,
activity:1821528,
activity:1821529,
activity:1821530,
activity:1856327,
activity:1856339,
activity:2080830,
activity:2080842,
activity:2090761,
activity:2090765,
activity:2179297,
activity:2272341,
activity:2272345,
activity:2272352,
activity:2272353,
activity:2272369,
activity:2272379,
activity:2272380,
activity:2272381,
activity:2272382,
activity:2272419,
activity:2272420,
activity:2313855,
activity:2313910,
activity:2324514,
activity:2534248,
activity:3365747,
activity:3366149,
activity:3625263,
activity:3657939,
activity:3675918,
activity:3772657,
activity:3941625,
activity:4124707,
activity:4291380,
activity:4361386,
activity:4462467,
activity:4670687,
activity:4723412,
activity:4803987,
activity:4845362,
activity:4868814,
activity:4875829,
activity:4896336,
activity:4980568,
activity:5019531,
activity:5567856,
activity:5569314,
activity:5640114,
activity:5756298,
activity:6285052,
activity:6285054,
activity:6285056,
activity:6285066,
activity:6342081,
activity:6450044,
activity:6469875,
activity:6506908
|
