azanium;zirconium;formate

CH5NO2Zr — CID 158632052

IUPACazanium;zirconium;formate
SMILESO=C[O-].[NH4+].[Zr]
InChIInChI=1S/CH2O2.H3N.Zr/c2-1-3;;/h1H,(H,2,3);1H3;
InChIKeyJRCIFLDLLLTDQZ-UHFFFAOYSA-N
MW154.28 g/mol
LogP-1.26
Rot. Bonds

About azanium;zirconium;formate

azanium;zirconium;formate (PubChem CID 158632052) has the molecular formula CH5NO2Zr and a molecular weight of 154.28 g/mol. Its IUPAC name is azanium;zirconium;formate.

Molecular Properties

Compound Nameazanium;zirconium;formate
PubChem CID158632052
Molecular FormulaCH5NO2Zr
Molecular Weight154.28 g/mol
Exact Mass152.94
IUPAC Nameazanium;zirconium;formate
SMILESO=C[O-].[NH4+].[Zr]
InChIInChI=1S/CH2O2.H3N.Zr/c2-1-3;;/h1H,(H,2,3);1H3;
InChIKeyJRCIFLDLLLTDQZ-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 ≤ 500154.28
LogP ≤ 5-1.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze azanium;zirconium;formate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of azanium;zirconium;formate?
The IUPAC name of azanium;zirconium;formate (CID 158632052) is azanium;zirconium;formate.
What is the SMILES notation for azanium;zirconium;formate?
The canonical SMILES for azanium;zirconium;formate is O=C[O-].[NH4+].[Zr].
What is the InChIKey of azanium;zirconium;formate?
The InChIKey is JRCIFLDLLLTDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2O2.H3N.Zr/c2-1-3;;/h1H,(H,2,3);1H3;.
What are the key properties of azanium;zirconium;formate?
azanium;zirconium;formate has a molecular weight of 154.28 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;zirconium;formate is sourced from PubChem (CID 158632052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).