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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL185198
CHEMBL185198
Compound Name CYNOOXIDE ANION
ChEMBL Synonyms Cynooxide Anion
Max Phase 0
Trade Names
Molecular Formula CHNO

Additional synonyms for CHEMBL185198 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [O-][N+]#C
Standard InChI InChI=1S/CHNO/c1-2-3/h1H
Standard InChI Key UXKUODQYLDZXDL-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL185198

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
43 43.0058 -0.83 0 30.67 -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
1 0 0 2 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - .72 - 0 3 0.33

Structural Alerts

There are 6 structural alerts for CHEMBL185198. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:UXKUODQYLDZXDL-UHFFFAOYSA-N
Wikipedia Fulminic_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL185198



BindingDB 50152965
ChEBI 29813
EPA CompTox Dashboard DTXSID30334603
IBM Patent System CE54D693252A79F8BC0B810710DCE269 C858732A7A8F0AEF25EAEB71D0F1C324
Nikkaji J973.550J
PubChem 521293
PubChem: Thomson Pharma 49850596
SureChEMBL SCHEMBL57006

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/UXKUODQYLDZXDL-UHFFFAOYSA-N spacer
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