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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1371297
CHEMBL1371297
Compound Name PHTHALIC ANHYDRIDE
ChEMBL Synonyms Isobenzofuran-1,3-Dione
Max Phase 0
Trade Names
Molecular Formula C8H4O3

Additional synonyms for CHEMBL1371297 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=C1OC(=O)c2ccccc12
Standard InChI InChI=1S/C8H4O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4H
Standard InChI Key LGRFSURHDFAFJT-UHFFFAOYSA-N

Sources

  • Gene Expression Atlas Compounds
  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1371297

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
148.1 148.016 1.3 0 43.37 -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 0 0 3 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 1.19 1.19 1 11 0.41

Structural Alerts

There are 9 structural alerts for CHEMBL1371297. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:LGRFSURHDFAFJT-UHFFFAOYSA-N
PubChem SID: 144207340 SID: 17389755

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1371297



ACToR 85-44-9 68411-80-3 39363-63-8
Brenda 35692 144094
ChEBI 36605
eMolecules 479876
EPA CompTox Dashboard DTXSID2021159
FDA SRS UVL263I5BJ
IBM Patent System A4751C545960F86307702F7AD36392D5
Mcule MCULE-5260748273
MolPort MolPort-000-006-132
Nikkaji J4.919K
NMRShiftDB 21071
PubChem 6811
PubChem: Thomson Pharma 15243070
SureChEMBL SCHEMBL220
ZINC ZINC000008100883

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