diazanium;cerium;nitrate;sulfate

H8CeN3O7S- — CID 175582039

IUPACdiazanium;cerium;nitrate;sulfate
SMILESO=S(=O)([O-])[O-].O=[N+]([O-])[O-].[Ce].[NH4+].[NH4+]
InChIInChI=1S/Ce.NO3.2H3N.H2O4S/c;2-1(3)4;;;1-5(2,3)4/h;;2*1H3;(H2,1,2,3,4)/q;-1;;;
InChIKeyXLEZWDDDUFYQLP-UHFFFAOYSA-N
MW334.26 g/mol
LogP-0.82
Rot. Bonds

About diazanium;cerium;nitrate;sulfate

diazanium;cerium;nitrate;sulfate (PubChem CID 175582039) has the molecular formula H8CeN3O7S- and a molecular weight of 334.26 g/mol. Its IUPAC name is diazanium;cerium;nitrate;sulfate.

Molecular Properties

Compound Namediazanium;cerium;nitrate;sulfate
PubChem CID175582039
Molecular FormulaH8CeN3O7S-
Molecular Weight334.26 g/mol
Exact Mass333.91
IUPAC Namediazanium;cerium;nitrate;sulfate
SMILESO=S(=O)([O-])[O-].O=[N+]([O-])[O-].[Ce].[NH4+].[NH4+]
InChIInChI=1S/Ce.NO3.2H3N.H2O4S/c;2-1(3)4;;;1-5(2,3)4/h;;2*1H3;(H2,1,2,3,4)/q;-1;;;
InChIKeyXLEZWDDDUFYQLP-UHFFFAOYSA-N
XLogP-0.82
TPSA219.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of diazanium;cerium;nitrate;sulfate?
The IUPAC name of diazanium;cerium;nitrate;sulfate (CID 175582039) is diazanium;cerium;nitrate;sulfate.
What is the SMILES notation for diazanium;cerium;nitrate;sulfate?
The canonical SMILES for diazanium;cerium;nitrate;sulfate is O=S(=O)([O-])[O-].O=[N+]([O-])[O-].[Ce].[NH4+].[NH4+].
What is the InChIKey of diazanium;cerium;nitrate;sulfate?
The InChIKey is XLEZWDDDUFYQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/Ce.NO3.2H3N.H2O4S/c;2-1(3)4;;;1-5(2,3)4/h;;2*1H3;(H2,1,2,3,4)/q;-1;;;.
What are the key properties of diazanium;cerium;nitrate;sulfate?
diazanium;cerium;nitrate;sulfate has a molecular weight of 334.26 g/mol, XLogP of -0.82, 0 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diazanium;cerium;nitrate;sulfate is sourced from PubChem (CID 175582039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).