bis(oxygen(2-));zirconium(4+);hydrochloride

HClO2Zr — CID 159364383

IUPACbis(oxygen(2-));zirconium(4+);hydrochloride
SMILESCl.[O-2].[O-2].[Zr+4]
InChIInChI=1S/ClH.2O.Zr/h1H;;;/q;2*-2;+4
InChIKeyLIYCMHBNZDXLEK-UHFFFAOYSA-N
MW159.68 g/mol
LogP0.18
Rot. Bonds

About bis(oxygen(2-));zirconium(4+);hydrochloride

bis(oxygen(2-));zirconium(4+);hydrochloride (PubChem CID 159364383) has the molecular formula HClO2Zr and a molecular weight of 159.68 g/mol. Its IUPAC name is bis(oxygen(2-));zirconium(4+);hydrochloride.

Molecular Properties

Compound Namebis(oxygen(2-));zirconium(4+);hydrochloride
PubChem CID159364383
Molecular FormulaHClO2Zr
Molecular Weight159.68 g/mol
Exact Mass157.87
IUPAC Namebis(oxygen(2-));zirconium(4+);hydrochloride
SMILESCl.[O-2].[O-2].[Zr+4]
InChIInChI=1S/ClH.2O.Zr/h1H;;;/q;2*-2;+4
InChIKeyLIYCMHBNZDXLEK-UHFFFAOYSA-N
XLogP0.18
TPSA57.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms4
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.68
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze bis(oxygen(2-));zirconium(4+);hydrochloride 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(oxygen(2-));zirconium(4+);hydrochloride?
The IUPAC name of bis(oxygen(2-));zirconium(4+);hydrochloride (CID 159364383) is bis(oxygen(2-));zirconium(4+);hydrochloride.
What is the SMILES notation for bis(oxygen(2-));zirconium(4+);hydrochloride?
The canonical SMILES for bis(oxygen(2-));zirconium(4+);hydrochloride is Cl.[O-2].[O-2].[Zr+4].
What is the InChIKey of bis(oxygen(2-));zirconium(4+);hydrochloride?
The InChIKey is LIYCMHBNZDXLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/ClH.2O.Zr/h1H;;;/q;2*-2;+4.
What are the key properties of bis(oxygen(2-));zirconium(4+);hydrochloride?
bis(oxygen(2-));zirconium(4+);hydrochloride has a molecular weight of 159.68 g/mol, XLogP of 0.18, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(oxygen(2-));zirconium(4+);hydrochloride is sourced from PubChem (CID 159364383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).