zirconium

Zr5 — CID 157227200

IUPACzirconium
SMILES[Zr].[Zr].[Zr].[Zr].[Zr]
InChIInChI=1S/5Zr
InChIKeyATRHOMIENHRNOP-UHFFFAOYSA-N
MW456.12 g/mol
LogP-0.01
Rot. Bonds

About zirconium

zirconium (PubChem CID 157227200) has the molecular formula Zr5 and a molecular weight of 456.12 g/mol. Its IUPAC name is zirconium.

Molecular Properties

Compound Namezirconium
PubChem CID157227200
Molecular FormulaZr5
Molecular Weight456.12 g/mol
Exact Mass449.52
IUPAC Namezirconium
SMILES[Zr].[Zr].[Zr].[Zr].[Zr]
InChIInChI=1S/5Zr
InChIKeyATRHOMIENHRNOP-UHFFFAOYSA-N
XLogP-0.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.12
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 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

cobalt;zirconium
CID 71354982
pentakis(rhodium);zirconium
CID 71359491
zirconium;trihydrofluoride
CID 173043672
silane;zirconium
CID 174755600
CID 71338541
CID 71338541
zirconium;hydrate
CID 57436787
hafnium;zirconium
CID 172776391
azanide;zirconium
CID 122130250
nickel;zirconium
CID 71414316
aluminum;zirconium
CID 57422067
zirconium;nonahydrate
CID 173011011
CID 71355292
CID 71355292

Frequently Asked Questions

What is the IUPAC name of zirconium?
The IUPAC name of zirconium (CID 157227200) is zirconium.
What is the SMILES notation for zirconium?
The canonical SMILES for zirconium is [Zr].[Zr].[Zr].[Zr].[Zr].
What is the InChIKey of zirconium?
The InChIKey is ATRHOMIENHRNOP-UHFFFAOYSA-N. The full InChI is InChI=1S/5Zr.
What are the key properties of zirconium?
zirconium has a molecular weight of 456.12 g/mol, XLogP of -0.01, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for zirconium is sourced from PubChem (CID 157227200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).