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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1879693
CHEMBL1879693
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula H4ClNO4

Additional synonyms for CHEMBL1879693 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES N.OCl(=O)(=O)=O
Standard InChI InChI=1S/ClHO4.H3N/c2-1(3,4)5;/h(H,2,3,4,5);1H3
Standard InChI Key HHEFNVCDPLQQTP-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1879693

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
117.5 116.9829 - - - -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
- - - - - -


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

Structural Alerts

There are no structural alerts for CHEMBL1879693

Compound Cross References

ChemSpider ChemSpider:HHEFNVCDPLQQTP-UHFFFAOYSA-N
PubChem SID: 144209491 SID: 144213631 SID: 17389178

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1879693



ACToR 7790-98-9 13777-04-3
ChemicalBook CB9259751
eMolecules 881169 477556
EPA CompTox Dashboard DTXSID4024515
FDA SRS Z3DQ8VD57X
PubChem 24639 16211169
PubChem: Thomson Pharma 14747542
SureChEMBL SCHEMBL103564

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