|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3
|
|
chemicalCompound:standardIn... |
XEKOWRVHYACXOJ-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CCOC(=O)C
|
|
chemicalCompound:molecularF... |
C4H8O2
|
|
chemicalCompound:moleculeId |
13351
|
|
chemicalCompound:mwFreebase |
88.1051
|
|
chemicalCompound:alogp |
0.369
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
26.3
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
Y
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
0.785
|
|
chemicalCompound:acdLogD |
0.785
|
|
chemicalCompound:fullMwt |
88.1051
|
|
chemicalCompound:chemblId |
CHEMBL14152
|
|
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 |
ETHYL ACETATE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:297356,
activity:307868,
activity:638778,
activity:785698,
activity:785699,
activity:785700,
activity:785701,
activity:785702,
activity:785703,
activity:1004013,
activity:1004014,
activity:1216504,
activity:1216505,
activity:1216506,
activity:1216507,
activity:1265601,
activity:1504124,
activity:2456685,
activity:2456701,
activity:3656740,
activity:3715881,
activity:3997626,
activity:4185223,
activity:4841682
|
