|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2
|
|
chemicalCompound:standardIn... |
PAYRUJLWNCNPSJ-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Nc1ccccc1
|
|
chemicalCompound:molecularF... |
C6H7N
|
|
chemicalCompound:moleculeId |
13338
|
|
chemicalCompound:mwFreebase |
93.1265
|
|
chemicalCompound:alogp |
1.083
|
|
chemicalCompound:hba |
1
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
26.02
|
|
chemicalCompound:rtb |
0
|
|
chemicalCompound:ro3Pass |
Y
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
1.136
|
|
chemicalCompound:acdLogD |
1.135
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
93.1265
|
|
chemicalCompound:acdMostBpk... |
4.612
|
|
chemicalCompound:chemblId |
CHEMBL538
|
|
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 |
ANILINE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:284994,
activity:476057,
activity:639838,
activity:661581,
activity:764400,
activity:764401,
activity:764402,
activity:764403,
activity:764404,
activity:764405,
activity:1011624,
activity:1042744,
activity:1042745,
activity:1506320,
activity:1879161,
activity:1879272,
activity:1879273,
activity:1879407,
activity:1879494,
activity:1879603,
activity:2385341,
activity:2556760,
activity:2588808,
activity:2588854,
activity:3940377,
activity:4715317,
activity:4868959,
activity:6074412,
activity:6361020,
activity:7565311,
activity:8026326
|
