hydroperoxyindigane

H3InO2 — CID 173063282

IUPAChydroperoxyindigane
SMILESOO[InH2]
InChIInChI=1S/In.H2O2.2H/c;1-2;;/h;1-2H;;/q+1;;;/p-1
InChIKeyOEQGIGFAMNJGDT-UHFFFAOYSA-M
MW149.84 g/mol
LogP-0.98
Rot. Bonds

About hydroperoxyindigane

hydroperoxyindigane (PubChem CID 173063282) has the molecular formula H3InO2 and a molecular weight of 149.84 g/mol. Its IUPAC name is hydroperoxyindigane.

Molecular Properties

Compound Namehydroperoxyindigane
PubChem CID173063282
Molecular FormulaH3InO2
Molecular Weight149.84 g/mol
Exact Mass149.92
IUPAC Namehydroperoxyindigane
SMILESOO[InH2]
InChIInChI=1S/In.H2O2.2H/c;1-2;;/h;1-2H;;/q+1;;;/p-1
InChIKeyOEQGIGFAMNJGDT-UHFFFAOYSA-M
XLogP-0.98
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.84
LogP ≤ 5-0.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of hydroperoxyindigane?
The IUPAC name of hydroperoxyindigane (CID 173063282) is hydroperoxyindigane.
What is the SMILES notation for hydroperoxyindigane?
The canonical SMILES for hydroperoxyindigane is OO[InH2].
What is the InChIKey of hydroperoxyindigane?
The InChIKey is OEQGIGFAMNJGDT-UHFFFAOYSA-M. The full InChI is InChI=1S/In.H2O2.2H/c;1-2;;/h;1-2H;;/q+1;;;/p-1.
What are the key properties of hydroperoxyindigane?
hydroperoxyindigane has a molecular weight of 149.84 g/mol, XLogP of -0.98, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydroperoxyindigane is sourced from PubChem (CID 173063282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).