|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/CHNS/c2-1-3/h3H
|
|
chemicalCompound:standardIn... |
ZMZDMBWJUHKJPS-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
SC#N
|
|
chemicalCompound:molecularF... |
CHNS
|
|
chemicalCompound:moleculeId |
131737
|
|
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 |
59.0903
|
|
chemicalCompound:chemblId |
CHEMBL84336
|
|
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 |
THIOCYANATE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:939643,
activity:1445952,
activity:1445953,
activity:1445954,
activity:1445955,
activity:1445956,
activity:1456418,
activity:1456419,
activity:1456420,
activity:1456421,
activity:1457289,
activity:1457290,
activity:1457291,
activity:1457292,
activity:1457293,
activity:1726317,
activity:5131705,
activity:5131706,
activity:5131707,
activity:5131708,
activity:5131709
|
