calcium;sodium;dichloride;hydrochloride

HCaCl3Na+ — CID 157157845

IUPACcalcium;sodium;dichloride;hydrochloride
SMILESCl.[Ca+2].[Cl-].[Cl-].[Na+]
InChIInChI=1S/Ca.3ClH.Na/h;3*1H;/q+2;;;;+1/p-2
InChIKeyAMAICRYCMCVAHT-UHFFFAOYSA-L
MW170.44 g/mol
LogP-8.95
Rot. Bonds

About calcium;sodium;dichloride;hydrochloride

calcium;sodium;dichloride;hydrochloride (PubChem CID 157157845) has the molecular formula HCaCl3Na+ and a molecular weight of 170.44 g/mol. Its IUPAC name is calcium;sodium;dichloride;hydrochloride.

Molecular Properties

Compound Namecalcium;sodium;dichloride;hydrochloride
PubChem CID157157845
Molecular FormulaHCaCl3Na+
Molecular Weight170.44 g/mol
Exact Mass168.87
IUPAC Namecalcium;sodium;dichloride;hydrochloride
SMILESCl.[Ca+2].[Cl-].[Cl-].[Na+]
InChIInChI=1S/Ca.3ClH.Na/h;3*1H;/q+2;;;;+1/p-2
InChIKeyAMAICRYCMCVAHT-UHFFFAOYSA-L
XLogP-8.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.44
LogP ≤ 5-8.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of calcium;sodium;dichloride;hydrochloride?
The IUPAC name of calcium;sodium;dichloride;hydrochloride (CID 157157845) is calcium;sodium;dichloride;hydrochloride.
What is the SMILES notation for calcium;sodium;dichloride;hydrochloride?
The canonical SMILES for calcium;sodium;dichloride;hydrochloride is Cl.[Ca+2].[Cl-].[Cl-].[Na+].
What is the InChIKey of calcium;sodium;dichloride;hydrochloride?
The InChIKey is AMAICRYCMCVAHT-UHFFFAOYSA-L. The full InChI is InChI=1S/Ca.3ClH.Na/h;3*1H;/q+2;;;;+1/p-2.
What are the key properties of calcium;sodium;dichloride;hydrochloride?
calcium;sodium;dichloride;hydrochloride has a molecular weight of 170.44 g/mol, XLogP of -8.95, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;sodium;dichloride;hydrochloride is sourced from PubChem (CID 157157845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).