About Perhydroxyl radical
Perhydroxyl radical (PubChem CID 18500) has the molecular formula HO2-
and a molecular weight of 33.01 g/mol.
Molecular Properties
| Compound Name | Perhydroxyl radical |
|---|
| PubChem CID | 18500 |
|---|
| Molecular Formula | HO2- |
|---|
| Molecular Weight | 33.01 g/mol |
|---|
| Exact Mass | 33.00 |
|---|
| IUPAC Name | — |
|---|
| SMILES | [O-]O |
|---|
| InChI | InChI=1S/H2O2/c1-2/h1-2H/p-1 |
|---|
| InChIKey | MHAJPDPJQMAIIY-UHFFFAOYSA-M |
|---|
| XLogP | -1.18 |
|---|
| TPSA | 43.29 Ų |
|---|
| H-Bond Donors | 1 |
|---|
| H-Bond Acceptors | 2 |
|---|
| Rotatable Bonds | |
|---|
| Heavy Atoms | 2 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 33.01 |
| LogP ≤ 5 | -1.18 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
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 Perhydroxyl radical?
The IUPAC name of Perhydroxyl radical (CID 18500) is not available.
What is the SMILES notation for Perhydroxyl radical?
The canonical SMILES for Perhydroxyl radical is [O-]O.
What is the InChIKey of Perhydroxyl radical?
The InChIKey is MHAJPDPJQMAIIY-UHFFFAOYSA-M. The full InChI is InChI=1S/H2O2/c1-2/h1-2H/p-1.
What are the key properties of Perhydroxyl radical?
Perhydroxyl radical has a molecular weight of 33.01 g/mol, XLogP of -1.18, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Perhydroxyl radical is sourced from PubChem (CID 18500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).