CID 88812666

CFeNTl- — CID 88812666

IUPAC—
SMILES[C-]#N.[Fe].[Tl]
InChIInChI=1S/CN.Fe.Tl/c1-2;;/q-1;;
InChIKeyMRIFCURDLMUMGD-UHFFFAOYSA-N
MW286.25 g/mol
LogP-0.29
Rot. Bonds

About CID 88812666

CID 88812666 (PubChem CID 88812666) has the molecular formula CFeNTl- and a molecular weight of 286.25 g/mol.

Molecular Properties

Compound NameCID 88812666
PubChem CID88812666
Molecular FormulaCFeNTl-
Molecular Weight286.25 g/mol
Exact Mass286.91
IUPAC Name—
SMILES[C-]#N.[Fe].[Tl]
InChIInChI=1S/CN.Fe.Tl/c1-2;;/q-1;;
InChIKeyMRIFCURDLMUMGD-UHFFFAOYSA-N
XLogP-0.29
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 5-0.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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titanium cyanide
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Frequently Asked Questions

What is the IUPAC name of CID 88812666?
The IUPAC name of CID 88812666 (CID 88812666) is not available.
What is the SMILES notation for CID 88812666?
The canonical SMILES for CID 88812666 is [C-]#N.[Fe].[Tl].
What is the InChIKey of CID 88812666?
The InChIKey is MRIFCURDLMUMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/CN.Fe.Tl/c1-2;;/q-1;;.
What are the key properties of CID 88812666?
CID 88812666 has a molecular weight of 286.25 g/mol, XLogP of -0.29, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88812666 is sourced from PubChem (CID 88812666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).