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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3184584
CHEMBL3184584
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula BaN2O6

Additional synonyms for CHEMBL3184584 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Ba+2].[O-][N+](=O)[O-].[O-][N+](=O)[O-]
Standard InChI InChI=1S/Ba.2NO3/c;2*2-1(3)4/q+2;2*-1
Standard InChI Key IWOUKMZUPDVPGQ-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL3184584

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
261.3 261.8809 - - - -


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 CHEMBL3184584

Compound Cross References

ChemSpider ChemSpider:IWOUKMZUPDVPGQ-UHFFFAOYSA-N
PubChem SID: 144209912

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3184584



ChemicalBook CB1852558
eMolecules 478945
EPA CompTox Dashboard DTXSID8049200
FDA SRS MDC5SW56XC
MolPort MolPort-003-925-962
PubChem 24798 15243532
PubChem: Thomson Pharma 14868727
SureChEMBL SCHEMBL42431

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