sodium;chloride;hydrate;dihydrochloride

H4Cl3NaO — CID 174899183

IUPACsodium;chloride;hydrate;dihydrochloride
SMILESCl.Cl.O.[Cl-].[Na+]
InChIInChI=1S/3ClH.Na.H2O/h3*1H;;1H2/q;;;+1;/p-1
InChIKeyDIPDLBQATRVUIB-UHFFFAOYSA-M
MW149.38 g/mol
LogP-5.97
Rot. Bonds

About sodium;chloride;hydrate;dihydrochloride

sodium;chloride;hydrate;dihydrochloride (PubChem CID 174899183) has the molecular formula H4Cl3NaO and a molecular weight of 149.38 g/mol. Its IUPAC name is sodium;chloride;hydrate;dihydrochloride.

Molecular Properties

Compound Namesodium;chloride;hydrate;dihydrochloride
PubChem CID174899183
Molecular FormulaH4Cl3NaO
Molecular Weight149.38 g/mol
Exact Mass147.92
IUPAC Namesodium;chloride;hydrate;dihydrochloride
SMILESCl.Cl.O.[Cl-].[Na+]
InChIInChI=1S/3ClH.Na.H2O/h3*1H;;1H2/q;;;+1;/p-1
InChIKeyDIPDLBQATRVUIB-UHFFFAOYSA-M
XLogP-5.97
TPSA31.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.38
LogP ≤ 5-5.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of sodium;chloride;hydrate;dihydrochloride?
The IUPAC name of sodium;chloride;hydrate;dihydrochloride (CID 174899183) is sodium;chloride;hydrate;dihydrochloride.
What is the SMILES notation for sodium;chloride;hydrate;dihydrochloride?
The canonical SMILES for sodium;chloride;hydrate;dihydrochloride is Cl.Cl.O.[Cl-].[Na+].
What is the InChIKey of sodium;chloride;hydrate;dihydrochloride?
The InChIKey is DIPDLBQATRVUIB-UHFFFAOYSA-M. The full InChI is InChI=1S/3ClH.Na.H2O/h3*1H;;1H2/q;;;+1;/p-1.
What are the key properties of sodium;chloride;hydrate;dihydrochloride?
sodium;chloride;hydrate;dihydrochloride has a molecular weight of 149.38 g/mol, XLogP of -5.97, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;chloride;hydrate;dihydrochloride is sourced from PubChem (CID 174899183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).