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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

Structural Alerts

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

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

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
ChEBI 48854
eMolecules 474518
FDA SRS J1P7893F4J
Human Metabolome Database HMDB34829
KEGG Ligand C00094
Mcule MCULE-3188569799
Nikkaji J54.364K
PubChem 22132154 1100
PubChem: Thomson Pharma 14747341
SureChEMBL SCHEMBL3181

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