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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1161699
CHEMBL1161699
Compound Name SULFUROUS ACID
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula H2O3S

Additional synonyms for CHEMBL1161699 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OS(=O)O
Standard InChI InChI=1S/H2O3S/c1-4(2)3/h(H2,1,2,3)
Standard InChI Key LSNNMFCWUKXFEE-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1161699

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
82.1 81.9725 -0.21 0 76.73 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 2 0 3 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
1.53 - -1.58 -6.08 0 4 0.4

Structural Alerts

There are 3 structural alerts for CHEMBL1161699. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:LSNNMFCWUKXFEE-UHFFFAOYSA-N
Wikipedia Sulfurous_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1161699



ACToR 104927-19-7 7782-99-2
Brenda 2546
ChEBI 48854
eMolecules 474518
EPA CompTox Dashboard DTXSID7042435
FDA SRS J1P7893F4J
Human Metabolome Database HMDB0034829
KEGG Ligand C00094
Mcule MCULE-3188569799
Metabolights MTBLC48854
MolPort MolPort-003-925-012
Nikkaji J54.364K
PubChem 22132154 1100
PubChem: Thomson Pharma 14747341
SureChEMBL SCHEMBL3181
ZINC ZINC000008383181

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