CID 153313457

C6FeN6Na — CID 153313457

IUPAC—
SMILES[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+6].[Na]
InChIInChI=1S/6CN.Fe.Na/c6*1-2;;/q6*-1;+6;
InChIKeySOAONVFQTZFZFQ-UHFFFAOYSA-N
MW234.94 g/mol
LogP0.19
Rot. Bonds

About CID 153313457

CID 153313457 (PubChem CID 153313457) has the molecular formula C6FeN6Na and a molecular weight of 234.94 g/mol.

Molecular Properties

Compound NameCID 153313457
PubChem CID153313457
Molecular FormulaC6FeN6Na
Molecular Weight234.94 g/mol
Exact Mass234.94
IUPAC Name—
SMILES[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+6].[Na]
InChIInChI=1S/6CN.Fe.Na/c6*1-2;;/q6*-1;+6;
InChIKeySOAONVFQTZFZFQ-UHFFFAOYSA-N
XLogP0.19
TPSA142.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.94
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 153313457?
The IUPAC name of CID 153313457 (CID 153313457) is not available.
What is the SMILES notation for CID 153313457?
The canonical SMILES for CID 153313457 is [C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+6].[Na].
What is the InChIKey of CID 153313457?
The InChIKey is SOAONVFQTZFZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/6CN.Fe.Na/c6*1-2;;/q6*-1;+6;.
What are the key properties of CID 153313457?
CID 153313457 has a molecular weight of 234.94 g/mol, XLogP of 0.19, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 153313457 is sourced from PubChem (CID 153313457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).