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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL144298
CHEMBL144298
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C10H8O8S2

Additional synonyms for CHEMBL144298 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Oc1cc(cc2cc(cc(O)c12)S(=O)(=O)O)S(=O)(=O)O
Standard InChI InChI=1S/C10H8O8S2/c11-8-3-6(19(13,14)15)1-5-2-7(20(16,17)18 ...
Download InChI
Standard InChI Key HLVXFWDLRHCZEI-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL144298

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
320.3 319.9661 0.74 2 149.2 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 4 0 8 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
-.52 - -3.72 -9.14 2 20 0.59

Structural Alerts

There are 5 structural alerts for CHEMBL144298. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:HLVXFWDLRHCZEI-UHFFFAOYSA-N
Wikipedia Chromotropic_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL144298



ACToR 148-25-4
Brenda 166094
ChEBI 1751
eMolecules 731159
EPA CompTox Dashboard DTXSID6059732
FDA SRS S596OD720M
IBM Patent System 23790CC339874232B4601080F5823757
KEGG Ligand C11323
Mcule MCULE-6876311332
MolPort MolPort-001-789-024
Nikkaji J5.844K
PubChem 67221 4368945
PubChem: Thomson Pharma 14752650
SureChEMBL SCHEMBL66310
ZINC ZINC000001532215

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