|
rdf:type |
|
|
chemicalCompound:parent |
|
|
chemicalCompound:standardIn... |
InChI=1S/CHNS.Na/c2-1-3;/h3H;/q;+1/p-1
|
|
chemicalCompound:standardIn... |
VGTPCRGMBIAPIM-UHFFFAOYSA-M
|
|
chemicalCompound:canonicalS... |
[Na+].[S-]C#N
|
|
chemicalCompound:molecularF... |
CNNaS
|
|
chemicalCompound:moleculeId |
1058776
|
|
chemicalCompound:mwFreebase |
59.0903
|
|
chemicalCompound:alogp |
0.545
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
62.59
|
|
chemicalCompound:rtb |
0
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdMostApk... |
0.926
|
|
chemicalCompound:acdLogP |
0.429
|
|
chemicalCompound:acdLogD |
-3.669
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
81.0722
|
|
chemicalCompound:chemblId |
CHEMBL1644028
|
|
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 |
SODIUM THIOCYANATE
|
|
chemicalCompound:activity |
activity:5130041,
activity:5133046,
activity:5133056,
activity:5133066,
activity:5133076,
activity:5133086,
activity:5133095,
activity:5297108,
activity:5297110,
activity:5297124,
activity:6203283,
activity:6203320,
activity:6203357,
activity:6203394,
activity:8044799
|
