CID 59018683

C6H2FeKN6O — CID 59018683

IUPAC—
SMILESO.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+6].[K]
InChIInChI=1S/6CN.Fe.K.H2O/c6*1-2;;;/h;;;;;;;;1H2/q6*-1;+6;;
InChIKeySSXQBYRNFVNJMS-UHFFFAOYSA-N
MW269.07 g/mol
LogP-0.63
Rot. Bonds

About CID 59018683

CID 59018683 (PubChem CID 59018683) has the molecular formula C6H2FeKN6O and a molecular weight of 269.07 g/mol.

Molecular Properties

Compound NameCID 59018683
PubChem CID59018683
Molecular FormulaC6H2FeKN6O
Molecular Weight269.07 g/mol
Exact Mass268.93
IUPAC Name—
SMILESO.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+6].[K]
InChIInChI=1S/6CN.Fe.K.H2O/c6*1-2;;;/h;;;;;;;;1H2/q6*-1;+6;;
InChIKeySSXQBYRNFVNJMS-UHFFFAOYSA-N
XLogP-0.63
TPSA174.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.07
LogP ≤ 5-0.63
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 59018683?
The IUPAC name of CID 59018683 (CID 59018683) is not available.
What is the SMILES notation for CID 59018683?
The canonical SMILES for CID 59018683 is O.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+6].[K].
What is the InChIKey of CID 59018683?
The InChIKey is SSXQBYRNFVNJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/6CN.Fe.K.H2O/c6*1-2;;;/h;;;;;;;;1H2/q6*-1;+6;;.
What are the key properties of CID 59018683?
CID 59018683 has a molecular weight of 269.07 g/mol, XLogP of -0.63, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59018683 is sourced from PubChem (CID 59018683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).