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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2251447
CHEMBL2251447
Compound Name CALCIUM HYPOCHLORIDE
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula CaCl2O2

Additional synonyms for CHEMBL2251447 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Ca+2].[O-]Cl.[O-]Cl
Standard InChI InChI=1S/Ca.2ClO/c;2*1-2/q+2;2*-1
Standard InChI Key ZKQDCIXGCQPQNV-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2251447

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
52.5 51.9716 0.13 0 20.23 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
7.54 - .1 -.13 0 2 0.42

Structural Alerts

There are 2 structural alerts for CHEMBL2251447. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ZKQDCIXGCQPQNV-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2251447



ACToR 104381-95-5 7778-54-3
ChEBI 31342
ChemicalBook CB8854319
eMolecules 13732133 712685
EPA CompTox Dashboard DTXSID1029700
FDA SRS 11DXB629VZ
MolPort MolPort-006-109-632
Nikkaji J148.074J
PubChem 24504 11137272
PubChem: Thomson Pharma 16214136 15090990
SureChEMBL SCHEMBL20269

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