azane;cerium;iron;titanium

H3CeFe2NTi — CID 159642774

IUPACazane;cerium;iron;titanium
SMILESN.[Ce].[Fe].[Fe].[Ti]
InChIInChI=1S/Ce.2Fe.H3N.Ti/h;;;1H3;
InChIKeySDZWCZBQECZRAH-UHFFFAOYSA-N
MW316.70 g/mol
LogP0.15
Rot. Bonds

About azane;cerium;iron;titanium

azane;cerium;iron;titanium (PubChem CID 159642774) has the molecular formula H3CeFe2NTi and a molecular weight of 316.70 g/mol. Its IUPAC name is azane;cerium;iron;titanium.

Molecular Properties

Compound Nameazane;cerium;iron;titanium
PubChem CID159642774
Molecular FormulaH3CeFe2NTi
Molecular Weight316.70 g/mol
Exact Mass316.75
IUPAC Nameazane;cerium;iron;titanium
SMILESN.[Ce].[Fe].[Fe].[Ti]
InChIInChI=1S/Ce.2Fe.H3N.Ti/h;;;1H3;
InChIKeySDZWCZBQECZRAH-UHFFFAOYSA-N
XLogP0.15
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.70
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of azane;cerium;iron;titanium?
The IUPAC name of azane;cerium;iron;titanium (CID 159642774) is azane;cerium;iron;titanium.
What is the SMILES notation for azane;cerium;iron;titanium?
The canonical SMILES for azane;cerium;iron;titanium is N.[Ce].[Fe].[Fe].[Ti].
What is the InChIKey of azane;cerium;iron;titanium?
The InChIKey is SDZWCZBQECZRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/Ce.2Fe.H3N.Ti/h;;;1H3;.
What are the key properties of azane;cerium;iron;titanium?
azane;cerium;iron;titanium has a molecular weight of 316.70 g/mol, XLogP of 0.15, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;cerium;iron;titanium is sourced from PubChem (CID 159642774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).