|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C4H4ClNO3/c5-1-2(6)4(8)9-3(1)7/h4,6-8H
|
|
chemicalCompound:standardIn... |
DVXWWTQSCMWHFK-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
OC1OC(=C(Cl)C1=N)O
|
|
chemicalCompound:molecularF... |
C4 H4 Cl N O3
|
|
chemicalCompound:moleculeId |
300880
|
|
chemicalCompound:mwFreebase |
149.532
|
|
chemicalCompound:alogp |
0.395
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
3
|
|
chemicalCompound:psa |
73.54
|
|
chemicalCompound:rtb |
0
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
3.26
|
|
chemicalCompound:acdLogP |
0.271
|
|
chemicalCompound:acdLogD |
-1.113
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
149.532
|
|
chemicalCompound:chemblId |
CHEMBL178762
|
|
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:activity |
activity:1422547,
activity:1422548,
activity:1422549,
activity:1422550,
activity:1422661,
activity:1422662,
activity:1422663,
activity:1422664,
activity:1422665,
activity:1422666,
activity:1422667,
activity:1422668,
activity:1422669,
activity:1422670,
activity:1422671,
activity:1422672,
activity:1422673,
activity:1422674,
activity:1422675,
activity:1422676,
activity:1422677,
activity:1422678,
activity:1422679,
activity:1422680,
activity:1423109,
activity:1423110,
activity:1423111,
activity:1423112,
activity:1423113,
activity:1423114,
activity:1423115,
activity:1423116,
activity:1423117
|
