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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3186858
CHEMBL3186858
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula K2O8S2

Additional synonyms for CHEMBL3186858 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [K+].[K+].[O-]S(=O)(=O)OOS(=O)(=O)[O-]
Standard InChI InChI=1S/2K.H2O8S2/c;;1-9(2,3)7-8-10(4,5)6/h;;(H,1,2,3)(H,4, ...
Download InChI
Standard InChI Key USHAGKDGDHPEEY-UHFFFAOYSA-L

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL3186858

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 CHEMBL3186858. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:USHAGKDGDHPEEY-UHFFFAOYSA-L
PubChem SID: 144207996

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3186858



ACToR 7727-21-1 106015-10-5
Brenda 93745
ChemicalBook CB6854294
eMolecules 712766
EPA CompTox Dashboard DTXSID4029690
FDA SRS 6B86K0MCZC
MolPort MolPort-006-109-725 MolPort-039-145-152
Nikkaji J43.953C
PubChem 24412 516926
PubChem: Thomson Pharma 14795335
SureChEMBL SCHEMBL8748

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