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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL7942
CHEMBL7942
Compound Name MALONIC ACID
ChEMBL Synonyms Sodium Malonate
Max Phase 0
Trade Names
Molecular Formula C3H4O4

Additional synonyms for CHEMBL7942 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)CC(=O)O
Standard InChI InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)
Standard InChI Key OFOBLEOULBTSOW-UHFFFAOYSA-N

Structural Alerts

There are 2 structural alerts for CHEMBL7942. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL7942

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
104.1 104.011 -0.39 2 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
2.92 - -.67 -5.35 0 7 0.47

Compound Cross References

ChemSpider ChemSpider:OFOBLEOULBTSOW-UHFFFAOYSA-N
PubChem SID: 144207732
Wikipedia Malonic_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL7942



ACToR 141-82-2 183133-72-4
BindinDB 14673
ChEBI 30794
DrugBank DB02175
eMolecules 494228
FDA SRS 9KX7ZMG0MK
Human Metabolome Database HMDB00691
IBM Patent System 6E56DB345A4323EC30A9237D7391683B
KEGG Ligand C04025 C02028 C00383
Mcule MCULE-5893043131
MolPort MolPort-000-156-711
Nikkaji J2.541K
NMRShiftDB 10005915
PDBe MLA
PubChem 867 23511544
PubChem: Thomson Pharma 15170483
SureChEMBL SCHEMBL336

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