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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2447905
CHEMBL2447905
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula H8N2O8S2

Additional synonyms for CHEMBL2447905 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES N.N.OS(=O)(=O)OOS(=O)(=O)O
Standard InChI InChI=1S/2H3N.H2O8S2/c;;1-9(2,3)7-8-10(4,5)6/h2*1H3;(H,1,2,3 ...
Download InChI
Standard InChI Key ROOXNKNUYICQNP-UHFFFAOYSA-N

Sources

  • Gene Expression Atlas Compounds
  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL2447905

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
194.1 193.9191 -1.46 3 127.2 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 2 0 8 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
-6.26 - -1.42 -5.92 0 10 0.32

Structural Alerts

There are 11 structural alerts for CHEMBL2447905. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ROOXNKNUYICQNP-UHFFFAOYSA-N
PubChem SID: 144208359

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2447905



ACToR 398469-95-9 7727-54-0
Brenda 44980 9383
eMolecules 13732116 712751
EPA CompTox Dashboard DTXSID9029691
FDA SRS 22QF6L357F
MolPort MolPort-006-109-693
PubChem 16211170 62648
PubChem: Thomson Pharma 14941349
SureChEMBL SCHEMBL15129

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