aluminum;titanium(4+);heptanitrite

AlN7O14Ti — CID 22061867

IUPACaluminum;titanium(4+);heptanitrite
SMILESO=N[O-].O=N[O-].O=N[O-].O=N[O-].O=N[O-].O=N[O-].O=N[O-].[Al+3].[Ti+4]
InChIInChI=1S/Al.7HNO2.Ti/c;7*2-1-3;/h;7*(H,2,3);/q+3;;;;;;;;+4/p-7
InChIKeyIYHPCMUMJPLSCD-UHFFFAOYSA-G
MW396.88 g/mol
LogP1.37
Rot. Bonds

About aluminum;titanium(4+);heptanitrite

aluminum;titanium(4+);heptanitrite (PubChem CID 22061867) has the molecular formula AlN7O14Ti and a molecular weight of 396.88 g/mol. Its IUPAC name is aluminum;titanium(4+);heptanitrite.

Molecular Properties

Compound Namealuminum;titanium(4+);heptanitrite
PubChem CID22061867
Molecular FormulaAlN7O14Ti
Molecular Weight396.88 g/mol
Exact Mass396.88
IUPAC Namealuminum;titanium(4+);heptanitrite
SMILESO=N[O-].O=N[O-].O=N[O-].O=N[O-].O=N[O-].O=N[O-].O=N[O-].[Al+3].[Ti+4]
InChIInChI=1S/Al.7HNO2.Ti/c;7*2-1-3;/h;7*(H,2,3);/q+3;;;;;;;;+4/p-7
InChIKeyIYHPCMUMJPLSCD-UHFFFAOYSA-G
XLogP1.37
TPSA367.43 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.88
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of aluminum;titanium(4+);heptanitrite?
The IUPAC name of aluminum;titanium(4+);heptanitrite (CID 22061867) is aluminum;titanium(4+);heptanitrite.
What is the SMILES notation for aluminum;titanium(4+);heptanitrite?
The canonical SMILES for aluminum;titanium(4+);heptanitrite is O=N[O-].O=N[O-].O=N[O-].O=N[O-].O=N[O-].O=N[O-].O=N[O-].[Al+3].[Ti+4].
What is the InChIKey of aluminum;titanium(4+);heptanitrite?
The InChIKey is IYHPCMUMJPLSCD-UHFFFAOYSA-G. The full InChI is InChI=1S/Al.7HNO2.Ti/c;7*2-1-3;/h;7*(H,2,3);/q+3;;;;;;;;+4/p-7.
What are the key properties of aluminum;titanium(4+);heptanitrite?
aluminum;titanium(4+);heptanitrite has a molecular weight of 396.88 g/mol, XLogP of 1.37, 0 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum;titanium(4+);heptanitrite is sourced from PubChem (CID 22061867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).