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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1231644
CHEMBL1231644
Compound Name CACODYLIC ACID
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C2H7AsO2

Additional synonyms for CHEMBL1231644 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[As](=O)(C)O
Standard InChI InChI=1S/C2H7AsO2/c1-3(2,4)5/h1-2H3,(H,4,5)
Standard InChI Key OGGXGZAMXPVRFZ-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1231644

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
138 137.9662 - - - -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
- - - - - -


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - - - - - -0

Structural Alerts

There are no structural alerts for CHEMBL1231644

Compound Cross References

ChemSpider ChemSpider:OGGXGZAMXPVRFZ-UHFFFAOYSA-N
PubChem SID: 144211084 SID: 26747794 SID: 26753706 SID: 29215173 SID: 405276 SID: 93576721

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1231644



ACToR 75-60-5 917-76-0 11126-73-1
Brenda 13496 105935 47200 5947
ChEBI 48765
DrugBank DB02994
DrugCentral 3058
eMolecules 488385
EPA CompTox Dashboard DTXSID7020508
FDA SRS AJ2HL7EU8K
Human Metabolome Database HMDB0011625 HMDB0094715
KEGG Ligand C07308
Metabolights MTBLC48765
MolPort MolPort-003-666-517
Nikkaji J2.395G
NMRShiftDB 20200266
PDBe CAD
PubChem 2513
PubChem: Thomson Pharma 14891550
SureChEMBL SCHEMBL15351

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