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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

Structural Alerts

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

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

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
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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