oxoindigane;oxoiron

HFeInO2 — CID 173421852

IUPACoxoindigane;oxoiron
SMILESO=[Fe].O=[InH]
InChIInChI=1S/Fe.In.2O.H
InChIKeyMCTGUDRBOCWXFZ-UHFFFAOYSA-N
MW203.67 g/mol
LogP-0.89
Rot. Bonds

About oxoindigane;oxoiron

oxoindigane;oxoiron (PubChem CID 173421852) has the molecular formula HFeInO2 and a molecular weight of 203.67 g/mol. Its IUPAC name is oxoindigane;oxoiron.

Molecular Properties

Compound Nameoxoindigane;oxoiron
PubChem CID173421852
Molecular FormulaHFeInO2
Molecular Weight203.67 g/mol
Exact Mass203.84
IUPAC Nameoxoindigane;oxoiron
SMILESO=[Fe].O=[InH]
InChIInChI=1S/Fe.In.2O.H
InChIKeyMCTGUDRBOCWXFZ-UHFFFAOYSA-N
XLogP-0.89
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.67
LogP ≤ 5-0.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 oxoindigane;oxoiron?
The IUPAC name of oxoindigane;oxoiron (CID 173421852) is oxoindigane;oxoiron.
What is the SMILES notation for oxoindigane;oxoiron?
The canonical SMILES for oxoindigane;oxoiron is O=[Fe].O=[InH].
What is the InChIKey of oxoindigane;oxoiron?
The InChIKey is MCTGUDRBOCWXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/Fe.In.2O.H.
What are the key properties of oxoindigane;oxoiron?
oxoindigane;oxoiron has a molecular weight of 203.67 g/mol, XLogP of -0.89, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxoindigane;oxoiron is sourced from PubChem (CID 173421852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).