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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL146755
CHEMBL146755
Compound Name OXALIC ACID
ChEMBL Synonyms Oxalic Acid | Oxalic Acid Dianion
Max Phase 0
Trade Names
Molecular Formula C2H2O4

Additional synonyms for CHEMBL146755 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)C(=O)O
Standard InChI InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)
Standard InChI Key MUBZPKHOEPUJKR-UHFFFAOYSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL146755

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
90 89.9953 -0.43 1 74.59 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 4 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
1.38 - -1.08 -5.82 0 6 0.43

Structural Alerts

There are 7 structural alerts for CHEMBL146755. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:MUBZPKHOEPUJKR-UHFFFAOYSA-N
PubChem SID: 144209320 SID: 144213663
Wikipedia Oxalic_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL146755



ACToR 144-62-7
BindingDB 14674
ChEBI 16995
DrugBank DB03902
eMolecules 475940
EPA CompTox Dashboard DTXSID0025816
FDA SRS 9E7R5L6H31
Human Metabolome Database HMDB02329
IBM Patent System 1CB3B92F079BA2980696AB8328BB6340
KEGG Ligand C00209
Mcule MCULE-6647815245
MolPort MolPort-001-779-798
Nikkaji J2.954H
NMRShiftDB 10016797
PDBe OXD
PubChem 18676629 971 3819775
PubChem: Thomson Pharma 15461790
SureChEMBL SCHEMBL776

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