|
rdf:type |
|
|
chemicalCompound:synonym |
synonym:13342_Acetasol_TRADE_NAME,
synonym:13342_Acetic Acid, Glacial_JAN,
synonym:13342_Acetic Acid, Glacial_USAN,
synonym:13342_Acetic Acid, Glacial_USP,
synonym:13342_Acetic Acid_JAN,
synonym:13342_Acetic Acid_USAN,
synonym:13342_Acetic acid, glacial_FDA_ALTERNATIVE_NAME,
synonym:13342_Acetic acid_FDA_ALTERNATIVE_NAME,
synonym:13342_Acetic acid_TRADE_NAME,
synonym:13342_Orlex_TRADE_NAME,
synonym:13342_Vosol_TRADE_NAME
|
|
chemicalCompound:standardIn... |
InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)
|
|
chemicalCompound:standardIn... |
QTBSBXVTEAMEQO-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CC(=O)O
|
|
chemicalCompound:molecularF... |
C2H4O2
|
|
chemicalCompound:moleculeId |
13342
|
|
chemicalCompound:mwFreebase |
60.052
|
|
chemicalCompound:alogp |
-0.205
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
37.29
|
|
chemicalCompound:rtb |
0
|
|
chemicalCompound:ro3Pass |
Y
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
4.792
|
|
chemicalCompound:acdLogP |
-0.322
|
|
chemicalCompound:acdLogD |
-2.901
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
60.052
|
|
chemicalCompound:chemblId |
CHEMBL539
|
|
chemicalCompound:maxPhase |
4
|
|
chemicalCompound:therapeuti... |
1
|
|
chemicalCompound:dosedIngre... |
Yes
|
|
chemicalCompound:structureT... |
|
|
chemicalCompound:chebi |
|
|
chemicalCompound:moleculeTy... |
|
|
chemicalCompound:oral |
Yes
|
|
chemicalCompound:parenteral |
Yes
|
|
chemicalCompound:topical |
Yes
|
|
chemicalCompound:blackBoxWa... |
No
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:prefName |
ACETIC ACID, GLACIAL
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:firstAppro... |
1982
|
|
chemicalCompound:activity |
activity:62387,
activity:62388,
activity:82598,
activity:82599,
activity:82600,
activity:82601,
activity:82602,
activity:82603,
activity:82604,
activity:82605,
activity:82606,
activity:82607,
activity:82608,
activity:82609,
activity:82610,
activity:82611,
activity:82612,
activity:82613,
activity:82614,
activity:82615,
activity:208106,
activity:281774,
activity:281775,
activity:281776,
activity:649555,
activity:786910,
activity:786911,
activity:786912,
activity:786913,
activity:786914,
activity:786915,
activity:1506313,
activity:2556744,
activity:3015604,
activity:3059222,
activity:3059223,
activity:3059224,
activity:3059225,
activity:3059226,
activity:3059227,
activity:3059228,
activity:3059229,
activity:3059230,
activity:3059231,
activity:3059232,
activity:3059233,
activity:3059234,
activity:3059235,
activity:3059236,
activity:3059237,
activity:3059238,
activity:3059239,
activity:3059240
|
