About ozone
ozone (PubChem CID 24823) has the molecular formula O3
and a molecular weight of 48.00 g/mol. Its IUPAC name is ozone.
Molecular Properties
| Compound Name | ozone |
|---|
| PubChem CID | 24823 |
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| Molecular Formula | O3 |
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| Molecular Weight | 48.00 g/mol |
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| Exact Mass | 47.98 |
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| IUPAC Name | ozone |
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| SMILES | O=[O+][O-] |
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| InChI | InChI=1S/O3/c1-3-2 |
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| InChIKey | CBENFWSGALASAD-UHFFFAOYSA-N |
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| XLogP | -1.12 |
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| TPSA | 51.43 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | |
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| Heavy Atoms | 3 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 48.00 |
| LogP ≤ 5 | -1.12 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'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 ozone?
The IUPAC name of ozone (CID 24823) is ozone.
What is the SMILES notation for ozone?
The canonical SMILES for ozone is O=[O+][O-].
What is the InChIKey of ozone?
The InChIKey is CBENFWSGALASAD-UHFFFAOYSA-N. The full InChI is InChI=1S/O3/c1-3-2.
What are the key properties of ozone?
ozone has a molecular weight of 48.00 g/mol, XLogP of -1.12, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ozone is sourced from PubChem (CID 24823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).