azane;carbonic acid;zinc;zirconium

CH5NO3ZnZr — CID 173042051

IUPACazane;carbonic acid;zinc;zirconium
SMILESN.O=C(O)O.[Zn].[Zr]
InChIInChI=1S/CH2O3.H3N.Zn.Zr/c2-1(3)4;;;/h(H2,2,3,4);1H3;;
InChIKeyHXPQKJVZEIZSRJ-UHFFFAOYSA-N
MW235.67 g/mol
LogP0.38
Rot. Bonds

About azane;carbonic acid;zinc;zirconium

azane;carbonic acid;zinc;zirconium (PubChem CID 173042051) has the molecular formula CH5NO3ZnZr and a molecular weight of 235.67 g/mol. Its IUPAC name is azane;carbonic acid;zinc;zirconium.

Molecular Properties

Compound Nameazane;carbonic acid;zinc;zirconium
PubChem CID173042051
Molecular FormulaCH5NO3ZnZr
Molecular Weight235.67 g/mol
Exact Mass232.86
IUPAC Nameazane;carbonic acid;zinc;zirconium
SMILESN.O=C(O)O.[Zn].[Zr]
InChIInChI=1S/CH2O3.H3N.Zn.Zr/c2-1(3)4;;;/h(H2,2,3,4);1H3;;
InChIKeyHXPQKJVZEIZSRJ-UHFFFAOYSA-N
XLogP0.38
TPSA92.53 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of azane;carbonic acid;zinc;zirconium?
The IUPAC name of azane;carbonic acid;zinc;zirconium (CID 173042051) is azane;carbonic acid;zinc;zirconium.
What is the SMILES notation for azane;carbonic acid;zinc;zirconium?
The canonical SMILES for azane;carbonic acid;zinc;zirconium is N.O=C(O)O.[Zn].[Zr].
What is the InChIKey of azane;carbonic acid;zinc;zirconium?
The InChIKey is HXPQKJVZEIZSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2O3.H3N.Zn.Zr/c2-1(3)4;;;/h(H2,2,3,4);1H3;;.
What are the key properties of azane;carbonic acid;zinc;zirconium?
azane;carbonic acid;zinc;zirconium has a molecular weight of 235.67 g/mol, XLogP of 0.38, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;carbonic acid;zinc;zirconium is sourced from PubChem (CID 173042051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).