About Trioxidanyl
Trioxidanyl (PubChem CID 6857668) has the molecular formula HO3
and a molecular weight of 49.01 g/mol.
Molecular Properties
| Compound Name | Trioxidanyl |
|---|
| PubChem CID | 6857668 |
|---|
| Molecular Formula | HO3 |
|---|
| Molecular Weight | 49.01 g/mol |
|---|
| Exact Mass | 48.99 |
|---|
| IUPAC Name | — |
|---|
| SMILES | [O]OO |
|---|
| InChI | InChI=1S/HO3/c1-3-2/h1H |
|---|
| InChIKey | WURFKUQACINBSI-UHFFFAOYSA-N |
|---|
| XLogP | -0.18 |
|---|
| TPSA | 49.36 Ų |
|---|
| H-Bond Donors | 1 |
|---|
| H-Bond Acceptors | 2 |
|---|
| Rotatable Bonds | |
|---|
| Heavy Atoms | 3 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 49.01 |
| LogP ≤ 5 | -0.18 |
| 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 Trioxidanyl?
The IUPAC name of Trioxidanyl (CID 6857668) is not available.
What is the SMILES notation for Trioxidanyl?
The canonical SMILES for Trioxidanyl is [O]OO.
What is the InChIKey of Trioxidanyl?
The InChIKey is WURFKUQACINBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/HO3/c1-3-2/h1H.
What are the key properties of Trioxidanyl?
Trioxidanyl has a molecular weight of 49.01 g/mol, XLogP of -0.18, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Trioxidanyl is sourced from PubChem (CID 6857668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).