azane;titanium(2+);dichloride;diphenoxide

C12H16Cl2N2O2Ti-2 — CID 23443505

IUPACazane;titanium(2+);dichloride;diphenoxide
SMILESN.N.[Cl-].[Cl-].[O-]c1ccccc1.[O-]c1ccccc1.[Ti+2]
InChIInChI=1S/2C6H6O.2ClH.2H3N.Ti/c2*7-6-4-2-1-3-5-6;;;;;/h2*1-5,7H;2*1H;2*1H3;/q;;;;;;+2/p-4
InChIKeySGSPZMRYOWOLAQ-UHFFFAOYSA-J
MW339.05 g/mol
LogP-4.15
Rot. Bonds

About azane;titanium(2+);dichloride;diphenoxide

azane;titanium(2+);dichloride;diphenoxide (PubChem CID 23443505) has the molecular formula C12H16Cl2N2O2Ti-2 and a molecular weight of 339.05 g/mol. Its IUPAC name is azane;titanium(2+);dichloride;diphenoxide.

Molecular Properties

Compound Nameazane;titanium(2+);dichloride;diphenoxide
PubChem CID23443505
Molecular FormulaC12H16Cl2N2O2Ti-2
Molecular Weight339.05 g/mol
Exact Mass338.01
IUPAC Nameazane;titanium(2+);dichloride;diphenoxide
SMILESN.N.[Cl-].[Cl-].[O-]c1ccccc1.[O-]c1ccccc1.[Ti+2]
InChIInChI=1S/2C6H6O.2ClH.2H3N.Ti/c2*7-6-4-2-1-3-5-6;;;;;/h2*1-5,7H;2*1H;2*1H3;/q;;;;;;+2/p-4
InChIKeySGSPZMRYOWOLAQ-UHFFFAOYSA-J
XLogP-4.15
TPSA116.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.05
LogP ≤ 5-4.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of azane;titanium(2+);dichloride;diphenoxide?
The IUPAC name of azane;titanium(2+);dichloride;diphenoxide (CID 23443505) is azane;titanium(2+);dichloride;diphenoxide.
What is the SMILES notation for azane;titanium(2+);dichloride;diphenoxide?
The canonical SMILES for azane;titanium(2+);dichloride;diphenoxide is N.N.[Cl-].[Cl-].[O-]c1ccccc1.[O-]c1ccccc1.[Ti+2].
What is the InChIKey of azane;titanium(2+);dichloride;diphenoxide?
The InChIKey is SGSPZMRYOWOLAQ-UHFFFAOYSA-J. The full InChI is InChI=1S/2C6H6O.2ClH.2H3N.Ti/c2*7-6-4-2-1-3-5-6;;;;;/h2*1-5,7H;2*1H;2*1H3;/q;;;;;;+2/p-4.
What are the key properties of azane;titanium(2+);dichloride;diphenoxide?
azane;titanium(2+);dichloride;diphenoxide has a molecular weight of 339.05 g/mol, XLogP of -4.15, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;titanium(2+);dichloride;diphenoxide is sourced from PubChem (CID 23443505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).