sodium;dioxotitanium;chloride

ClNaO2Ti — CID 173342145

IUPACsodium;dioxotitanium;chloride
SMILESO=[Ti]=O.[Cl-].[Na+]
InChIInChI=1S/ClH.Na.2O.Ti/h1H;;;;/q;+1;;;/p-1
InChIKeyYHMJCUPLUKAACF-UHFFFAOYSA-M
MW138.31 g/mol
LogP-6.23
Rot. Bonds

About sodium;dioxotitanium;chloride

sodium;dioxotitanium;chloride (PubChem CID 173342145) has the molecular formula ClNaO2Ti and a molecular weight of 138.31 g/mol. Its IUPAC name is sodium;dioxotitanium;chloride.

Molecular Properties

Compound Namesodium;dioxotitanium;chloride
PubChem CID173342145
Molecular FormulaClNaO2Ti
Molecular Weight138.31 g/mol
Exact Mass137.90
IUPAC Namesodium;dioxotitanium;chloride
SMILESO=[Ti]=O.[Cl-].[Na+]
InChIInChI=1S/ClH.Na.2O.Ti/h1H;;;;/q;+1;;;/p-1
InChIKeyYHMJCUPLUKAACF-UHFFFAOYSA-M
XLogP-6.23
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.31
LogP ≤ 5-6.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of sodium;dioxotitanium;chloride?
The IUPAC name of sodium;dioxotitanium;chloride (CID 173342145) is sodium;dioxotitanium;chloride.
What is the SMILES notation for sodium;dioxotitanium;chloride?
The canonical SMILES for sodium;dioxotitanium;chloride is O=[Ti]=O.[Cl-].[Na+].
What is the InChIKey of sodium;dioxotitanium;chloride?
The InChIKey is YHMJCUPLUKAACF-UHFFFAOYSA-M. The full InChI is InChI=1S/ClH.Na.2O.Ti/h1H;;;;/q;+1;;;/p-1.
What are the key properties of sodium;dioxotitanium;chloride?
sodium;dioxotitanium;chloride has a molecular weight of 138.31 g/mol, XLogP of -6.23, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;dioxotitanium;chloride is sourced from PubChem (CID 173342145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).