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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL572964
CHEMBL572964
Compound Name SULFURIC ACID
ChEMBL Synonyms E513 | SULFURIC ACID
Max Phase 0
Trade Names
Molecular Formula H2O4S

Additional synonyms for CHEMBL572964 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OS(=O)(=O)O
Standard InChI InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)
Standard InChI Key QAOWNCQODCNURD-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL572964

Molecule Features

CHEMBL572964 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov SULFURIC ACID
The Cochrane Collaboration SULFURIC ACID

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
98.1 97.9674 -0.61 0 82.97 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 4 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
-3.19 - -1.11 -5.61 0 5 0.4

Structural Alerts

There are 3 structural alerts for CHEMBL572964. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:QAOWNCQODCNURD-UHFFFAOYSA-N
PubChem SID: 144207681
Wikipedia Sulfuric_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL572964



ACToR 119540-51-1 7664-93-9 12772-98-4
Brenda 93597
ChEBI 26836
eMolecules 474492
EPA CompTox Dashboard DTXSID5029683
FDA SRS O40UQP6WCF
KEGG Ligand C00059
Mcule MCULE-1504889908
Metabolights MTBLC26836
Nikkaji J3.749D
PubChem 1118 5152822 22066174
PubChem: Thomson Pharma 15119682
SureChEMBL SCHEMBL113

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