ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1906899
CHEMBL1906899
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula HClO2

Additional synonyms for CHEMBL1906899 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OCl=O
Standard InChI InChI=1S/ClHO2/c2-1-3/h(H,2,3)
Standard InChI Key QBWCMBCROVPCKQ-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1906899

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
68.5 67.9665 -1.75 0 43.29 -


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - - - 0 3 0.37

Structural Alerts

There are 3 structural alerts for CHEMBL1906899. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:QBWCMBCROVPCKQ-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1906899



Brenda 2193
ChEBI 29219
EPA CompTox Dashboard DTXSID80160853
FDA SRS 7JRT833T5M
KEGG Ligand C01486
Nikkaji J441.130G
PubChem 24453
PubChem: Thomson Pharma 15296879
SureChEMBL SCHEMBL18913

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