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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3187152
CHEMBL3187152
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C8H5KO4

Additional synonyms for CHEMBL3187152 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [K+].OC(=O)c1ccccc1C(=O)[O-]
Standard InChI InChI=1S/C8H6O4.K/c9-7(10)5-3-1-2-4-6(5)8(11)12;/h1-4H,(H,9, ...
Download InChI
Standard InChI Key IWZKICVEHNUQTL-UHFFFAOYSA-M

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL3187152

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
166.1 166.0266 1.08 2 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
2.95 - .88 -3.23 1 12 0.69

Structural Alerts

There are 2 structural alerts for CHEMBL3187152. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:IWZKICVEHNUQTL-UHFFFAOYSA-M
PubChem SID: 144211668

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3187152



ACToR 877-24-7
ChemicalBook CB7193268 CB1132397
eMolecules 485970
EPA CompTox Dashboard DTXSID0042167
FDA SRS GG9121M623
Mcule MCULE-6292903963
MolPort MolPort-003-927-279
Nikkaji J60.336H
NMRShiftDB 60003399
PubChem 21225612 23676735
PubChem: Thomson Pharma 115946273
SureChEMBL SCHEMBL183233

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