oxozirconium(2+);dihydroxide;hydrate

H4O4Zr — CID 23047042

IUPACoxozirconium(2+);dihydroxide;hydrate
SMILESO.O=[Zr+2].[OH-].[OH-]
InChIInChI=1S/3H2O.O.Zr/h3*1H2;;/q;;;;+2/p-2
InChIKeyFRYINPFBFTXASQ-UHFFFAOYSA-L
MW159.25 g/mol
LogP-1.30
Rot. Bonds

About oxozirconium(2+);dihydroxide;hydrate

oxozirconium(2+);dihydroxide;hydrate (PubChem CID 23047042) has the molecular formula H4O4Zr and a molecular weight of 159.25 g/mol. Its IUPAC name is oxozirconium(2+);dihydroxide;hydrate.

Molecular Properties

Compound Nameoxozirconium(2+);dihydroxide;hydrate
PubChem CID23047042
Molecular FormulaH4O4Zr
Molecular Weight159.25 g/mol
Exact Mass157.92
IUPAC Nameoxozirconium(2+);dihydroxide;hydrate
SMILESO.O=[Zr+2].[OH-].[OH-]
InChIInChI=1S/3H2O.O.Zr/h3*1H2;;/q;;;;+2/p-2
InChIKeyFRYINPFBFTXASQ-UHFFFAOYSA-L
XLogP-1.30
TPSA108.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 5-1.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze oxozirconium(2+);dihydroxide;hydrate 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

oxozirconium(2+);dichloride;heptahydrate
CID 19374099
nickel(2+);hexahydrate
CID 5251517
CID 57372133
CID 57372133
lanthanum(3+);oxozirconium(2+);oxygen(2-)
CID 175710532
argon;carbon dioxide;hydrate
CID 159496559
cerium(4+);tetrahydroxide;hydrate
CID 172762625
lanthanum(3+);trihydroxide;hydrate
CID 43833483
strontium;dihydroxide;hexahydrate
CID 162063541
manganese(2+);trihydroxide;hydrate
CID 139031263
strontium;hydroxide;octahydrate
CID 23446976
molecular oxygen;tetrahydrate
CID 162300735
nickel(2+);sulfide;hexahydrate
CID 173167200

Frequently Asked Questions

What is the IUPAC name of oxozirconium(2+);dihydroxide;hydrate?
The IUPAC name of oxozirconium(2+);dihydroxide;hydrate (CID 23047042) is oxozirconium(2+);dihydroxide;hydrate.
What is the SMILES notation for oxozirconium(2+);dihydroxide;hydrate?
The canonical SMILES for oxozirconium(2+);dihydroxide;hydrate is O.O=[Zr+2].[OH-].[OH-].
What is the InChIKey of oxozirconium(2+);dihydroxide;hydrate?
The InChIKey is FRYINPFBFTXASQ-UHFFFAOYSA-L. The full InChI is InChI=1S/3H2O.O.Zr/h3*1H2;;/q;;;;+2/p-2.
What are the key properties of oxozirconium(2+);dihydroxide;hydrate?
oxozirconium(2+);dihydroxide;hydrate has a molecular weight of 159.25 g/mol, XLogP of -1.30, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxozirconium(2+);dihydroxide;hydrate is sourced from PubChem (CID 23047042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).