azanium;zinc;formate

CH5NO2Zn+2 — CID 21426951

IUPACazanium;zinc;formate
SMILESO=C[O-].[NH4+].[Zn+2]
InChIInChI=1S/CH2O2.H3N.Zn/c2-1-3;;/h1H,(H,2,3);1H3;/q;;+2
InChIKeyXZERARMBHRXHFG-UHFFFAOYSA-N
MW128.45 g/mol
LogP-1.26
Rot. Bonds

About azanium;zinc;formate

azanium;zinc;formate (PubChem CID 21426951) has the molecular formula CH5NO2Zn+2 and a molecular weight of 128.45 g/mol. Its IUPAC name is azanium;zinc;formate.

Molecular Properties

Compound Nameazanium;zinc;formate
PubChem CID21426951
Molecular FormulaCH5NO2Zn+2
Molecular Weight128.45 g/mol
Exact Mass126.96
IUPAC Nameazanium;zinc;formate
SMILESO=C[O-].[NH4+].[Zn+2]
InChIInChI=1S/CH2O2.H3N.Zn/c2-1-3;;/h1H,(H,2,3);1H3;/q;;+2
InChIKeyXZERARMBHRXHFG-UHFFFAOYSA-N
XLogP-1.26
TPSA76.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.45
LogP ≤ 5-1.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of azanium;zinc;formate?
The IUPAC name of azanium;zinc;formate (CID 21426951) is azanium;zinc;formate.
What is the SMILES notation for azanium;zinc;formate?
The canonical SMILES for azanium;zinc;formate is O=C[O-].[NH4+].[Zn+2].
What is the InChIKey of azanium;zinc;formate?
The InChIKey is XZERARMBHRXHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2O2.H3N.Zn/c2-1-3;;/h1H,(H,2,3);1H3;/q;;+2.
What are the key properties of azanium;zinc;formate?
azanium;zinc;formate has a molecular weight of 128.45 g/mol, XLogP of -1.26, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azanium;zinc;formate is sourced from PubChem (CID 21426951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).