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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3183960
CHEMBL3183960
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula CaN2O6

Additional synonyms for CHEMBL3183960 found using NCI Chemical Identifier Resolver

Compound Representations

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

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL3183960

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
164.1 163.9382 - - - -


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 CHEMBL3183960

Compound Cross References

ChemSpider ChemSpider:ZCCIPPOKBCJFDN-UHFFFAOYSA-N
PubChem SID: 144211131

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3183960



ACToR 10124-37-5
ChEBI 64205
ChemicalBook CB4315083
eMolecules 475095
EPA CompTox Dashboard DTXSID1039719
FDA SRS NF52F38N1N
PubChem 3321479 24963
PubChem: Thomson Pharma 15147051
SureChEMBL SCHEMBL21307

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