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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3184709
CHEMBL3184709
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C2CaO4

Additional synonyms for CHEMBL3184709 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Ca+2].[O-]C(=O)C(=O)[O-]
Standard InChI InChI=1S/C2H2O4.Ca/c3-1(4)2(5)6;/h(H,3,4)(H,5,6);/q;+2/p-2
Standard InChI Key QXDMQSPYEZFLGF-UHFFFAOYSA-L

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL3184709

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
128.1 127.9422 - - - -


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 CHEMBL3184709

Compound Cross References

ChemSpider ChemSpider:QXDMQSPYEZFLGF-UHFFFAOYSA-L
PubChem SID: 144209944

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3184709



ACToR 563-72-4 25454-23-3
ChEBI 60579
eMolecules 13732497
EPA CompTox Dashboard DTXSID6027214
FDA SRS 2612HC57YE
KEGG Ligand C17478
Nikkaji J437E
PubChem 16212978 33005
PubChem: Thomson Pharma 15146587
SureChEMBL SCHEMBL43709

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