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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1887585
CHEMBL1887585
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula ClNaO2

Additional synonyms for CHEMBL1887585 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Na+].[O-]Cl=O
Standard InChI InChI=1S/ClHO2.Na/c2-1-3;/h(H,2,3);/q;+1/p-1
Standard InChI Key UKLNMMHNWFDKNT-UHFFFAOYSA-M

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1887585

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 CHEMBL1887585. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:UKLNMMHNWFDKNT-UHFFFAOYSA-M
PubChem SID: 144213117 SID: 17389734

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1887585



ChEBI 78667
ChemicalBook CB8854304
eMolecules 713258
EPA CompTox Dashboard DTXSID8021272
FDA SRS G538EBV4VF
KEGG Ligand C19523
MolPort MolPort-006-119-008
Nikkaji J44.037J
PubChem 23668197
PubChem: Thomson Pharma 15119663
SureChEMBL SCHEMBL18727

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