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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1922185
CHEMBL1922185
Compound Name
ChEMBL Synonyms Trans,Trans-Muconic Acid
Max Phase 0
Trade Names
Molecular Formula C6H6O4

Additional synonyms for CHEMBL1922185 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)\C=C\C=C\C(=O)O
Standard InChI InChI=1S/C6H6O4/c7-5(8)3-1-2-4-6(9)10/h1-4H,(H,7,8)(H,9,10)/ ...
Download InChI
Standard InChI Key TXXHDPDFNKHHGW-ZPUQHVIOSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1922185

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
142.1 142.0266 0.27 3 74.6 ACID


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.77 - .16 -4.53 0 10 0.44

Structural Alerts

There are 8 structural alerts for CHEMBL1922185. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:TXXHDPDFNKHHGW-ZPUQHVIOSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1922185



ACToR 3588-17-8
Brenda 137369
ChEBI 27036
eMolecules 529324
EPA CompTox Dashboard DTXSID9052848
FDA SRS 3KD92ZL2KH
LipidMaps LMFA01170124
Mcule MCULE-6385818003
Metabolights MTBLC27036
MolPort MolPort-002-507-952
Nikkaji J73.682A J208.691C
PubChem 5356793
PubChem: Thomson Pharma 15120065
SureChEMBL SCHEMBL351491
ZINC ZINC000004521703

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