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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3184728
CHEMBL3184728
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula H12NiO10S

Additional synonyms for CHEMBL3184728 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O.O.O.O.O.O.[Ni+2].[O-]S(=O)(=O)[O-]
Standard InChI InChI=1S/Ni.H2O4S.6H2O/c;1-5(2,3)4;;;;;;/h;(H2,1,2,3,4);6*1H ...
Download InChI
Standard InChI Key RRIWRJBSCGCBID-UHFFFAOYSA-L

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL3184728

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
154.8 153.8871 - - - -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
- - - - - -


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

Structural Alerts

There are no structural alerts for CHEMBL3184728

Compound Cross References

ChemSpider ChemSpider:RRIWRJBSCGCBID-UHFFFAOYSA-L
PubChem SID: 144209792

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3184728



ACToR 10101-97-0
ChEBI 53437
eMolecules 713021
EPA CompTox Dashboard DTXSID7020928
FDA SRS JC9WZ4FK68
PubChem 5284429
SureChEMBL SCHEMBL66675

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