calcium;zinc;trichloride

CaCl3Zn+ — CID 158798380

IUPACcalcium;zinc;trichloride
SMILES[Ca+2].[Cl-].[Cl-].[Cl-].[Zn+2]
InChIInChI=1S/Ca.3ClH.Zn/h;3*1H;/q+2;;;;+2/p-3
InChIKeyITDPXROOCLISSX-UHFFFAOYSA-K
MW211.83 g/mol
LogP-9.37
Rot. Bonds

About calcium;zinc;trichloride

calcium;zinc;trichloride (PubChem CID 158798380) has the molecular formula CaCl3Zn+ and a molecular weight of 211.83 g/mol. Its IUPAC name is calcium;zinc;trichloride.

Molecular Properties

Compound Namecalcium;zinc;trichloride
PubChem CID158798380
Molecular FormulaCaCl3Zn+
Molecular Weight211.83 g/mol
Exact Mass208.80
IUPAC Namecalcium;zinc;trichloride
SMILES[Ca+2].[Cl-].[Cl-].[Cl-].[Zn+2]
InChIInChI=1S/Ca.3ClH.Zn/h;3*1H;/q+2;;;;+2/p-3
InChIKeyITDPXROOCLISSX-UHFFFAOYSA-K
XLogP-9.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.83
LogP ≤ 5-9.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of calcium;zinc;trichloride?
The IUPAC name of calcium;zinc;trichloride (CID 158798380) is calcium;zinc;trichloride.
What is the SMILES notation for calcium;zinc;trichloride?
The canonical SMILES for calcium;zinc;trichloride is [Ca+2].[Cl-].[Cl-].[Cl-].[Zn+2].
What is the InChIKey of calcium;zinc;trichloride?
The InChIKey is ITDPXROOCLISSX-UHFFFAOYSA-K. The full InChI is InChI=1S/Ca.3ClH.Zn/h;3*1H;/q+2;;;;+2/p-3.
What are the key properties of calcium;zinc;trichloride?
calcium;zinc;trichloride has a molecular weight of 211.83 g/mol, XLogP of -9.37, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;zinc;trichloride is sourced from PubChem (CID 158798380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).