bis(dioxido(oxo)zirconium);titanium(4+)

O6TiZr2 — CID 173129636

IUPACbis(dioxido(oxo)zirconium);titanium(4+)
SMILESO=[Zr]([O-])[O-].O=[Zr]([O-])[O-].[Ti+4]
InChIInChI=1S/6O.Ti.2Zr/q;;4*-1;+4;;
InChIKeyPGNAFCGOMHDJRC-UHFFFAOYSA-N
MW326.31 g/mol
LogP-5.00
Rot. Bonds

About bis(dioxido(oxo)zirconium);titanium(4+)

bis(dioxido(oxo)zirconium);titanium(4+) (PubChem CID 173129636) has the molecular formula O6TiZr2 and a molecular weight of 326.31 g/mol. Its IUPAC name is bis(dioxido(oxo)zirconium);titanium(4+).

Molecular Properties

Compound Namebis(dioxido(oxo)zirconium);titanium(4+)
PubChem CID173129636
Molecular FormulaO6TiZr2
Molecular Weight326.31 g/mol
Exact Mass323.73
IUPAC Namebis(dioxido(oxo)zirconium);titanium(4+)
SMILESO=[Zr]([O-])[O-].O=[Zr]([O-])[O-].[Ti+4]
InChIInChI=1S/6O.Ti.2Zr/q;;4*-1;+4;;
InChIKeyPGNAFCGOMHDJRC-UHFFFAOYSA-N
XLogP-5.00
TPSA126.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms9
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.31
LogP ≤ 5-5.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze bis(dioxido(oxo)zirconium);titanium(4+) 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 bis(dioxido(oxo)zirconium);titanium(4+)?
The IUPAC name of bis(dioxido(oxo)zirconium);titanium(4+) (CID 173129636) is bis(dioxido(oxo)zirconium);titanium(4+).
What is the SMILES notation for bis(dioxido(oxo)zirconium);titanium(4+)?
The canonical SMILES for bis(dioxido(oxo)zirconium);titanium(4+) is O=[Zr]([O-])[O-].O=[Zr]([O-])[O-].[Ti+4].
What is the InChIKey of bis(dioxido(oxo)zirconium);titanium(4+)?
The InChIKey is PGNAFCGOMHDJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/6O.Ti.2Zr/q;;4*-1;+4;;.
What are the key properties of bis(dioxido(oxo)zirconium);titanium(4+)?
bis(dioxido(oxo)zirconium);titanium(4+) has a molecular weight of 326.31 g/mol, XLogP of -5.00, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dioxido(oxo)zirconium);titanium(4+) is sourced from PubChem (CID 173129636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).