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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3188561
CHEMBL3188561
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula ClKO3

Additional synonyms for CHEMBL3188561 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [K+].[O-]Cl(=O)=O
Standard InChI InChI=1S/ClHO3.K/c2-1(3)4;/h(H,2,3,4);/q;+1/p-1
Standard InChI Key VKJKEPKFPUWCAS-UHFFFAOYSA-M

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL3188561

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
84.5 83.9614 -2.94 0 66.35 -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 3 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - - - 0 4 0.34

Structural Alerts

There are 3 structural alerts for CHEMBL3188561. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:VKJKEPKFPUWCAS-UHFFFAOYSA-M
PubChem SID: 144212840

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3188561



Brenda 94789 96648
ChemicalBook CB7853577
eMolecules 712961
EPA CompTox Dashboard DTXSID6047448
FDA SRS H35KS68EE7
Nikkaji J43.937A
PubChem 6426889
PubChem: Thomson Pharma 15170608
SureChEMBL SCHEMBL42241

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