azanium;oxalate;zirconium

C2H4NO4Zr- — CID 87076848

IUPACazanium;oxalate;zirconium
SMILESO=C([O-])C(=O)[O-].[NH4+].[Zr]
InChIInChI=1S/C2H2O4.H3N.Zr/c3-1(4)2(5)6;;/h(H,3,4)(H,5,6);1H3;/p-1
InChIKeyNGMLRHWRDWEBDQ-UHFFFAOYSA-M
MW197.28 g/mol
LogP-3.14
Rot. Bonds

About azanium;oxalate;zirconium

azanium;oxalate;zirconium (PubChem CID 87076848) has the molecular formula C2H4NO4Zr- and a molecular weight of 197.28 g/mol. Its IUPAC name is azanium;oxalate;zirconium.

Molecular Properties

Compound Nameazanium;oxalate;zirconium
PubChem CID87076848
Molecular FormulaC2H4NO4Zr-
Molecular Weight197.28 g/mol
Exact Mass195.92
IUPAC Nameazanium;oxalate;zirconium
SMILESO=C([O-])C(=O)[O-].[NH4+].[Zr]
InChIInChI=1S/C2H2O4.H3N.Zr/c3-1(4)2(5)6;;/h(H,3,4)(H,5,6);1H3;/p-1
InChIKeyNGMLRHWRDWEBDQ-UHFFFAOYSA-M
XLogP-3.14
TPSA116.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 5-3.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze azanium;oxalate;zirconium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

diazanium;oxalate
CID 14213
tetraazanium oxalate
CID 22167731
tetraazanium;oxalate;carbonate
CID 141480111
bis(cerium(3+));oxalate;zirconium
CID 173151736
azanium;barium(2+);oxalate;chloride
CID 162639609
azanium;oxalate;yttrium(3+);hydrate
CID 20835715
oxalate;bis(ruthenium(3+))
CID 57371303
diazanium;zirconium;carbonate
CID 174529437
cerium;oxalate
CID 8762
chromium(6+);oxalate
CID 138397959
tetrapotassium;octakis(cadmium(2+));oxalate
CID 173357268
oxalate;yttrium(3+)
CID 21124343

Frequently Asked Questions

What is the IUPAC name of azanium;oxalate;zirconium?
The IUPAC name of azanium;oxalate;zirconium (CID 87076848) is azanium;oxalate;zirconium.
What is the SMILES notation for azanium;oxalate;zirconium?
The canonical SMILES for azanium;oxalate;zirconium is O=C([O-])C(=O)[O-].[NH4+].[Zr].
What is the InChIKey of azanium;oxalate;zirconium?
The InChIKey is NGMLRHWRDWEBDQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H2O4.H3N.Zr/c3-1(4)2(5)6;;/h(H,3,4)(H,5,6);1H3;/p-1.
What are the key properties of azanium;oxalate;zirconium?
azanium;oxalate;zirconium has a molecular weight of 197.28 g/mol, XLogP of -3.14, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azanium;oxalate;zirconium is sourced from PubChem (CID 87076848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).