ozone
ID: ALA2447938
Chembl Id: CHEMBL2447938
Cas Number: 10028-15-6
PubChem CID: 24823
Product Number: O667875
Max Phase: Phase
Molecular Formula: O3
Molecular Weight: 48.00
Molecule Type: Small molecule
Associated Items:
Names and Identifiers
Synonyms: Ozone | Triatomic oxygen | OZONE|Triatomic oxygen|10028-15-6|Ozon|Ozone heavy work|ozono|Oxygen, mol (O3)|trioxygen|trioxygene|Trisauerstoff|CCRIS 4503|HSDB 717|EINECS 233-069-2|UNII-66H7ZZK23N|66H7ZZK23N|CHEBI:25812|DTXSID0021098|Ozon [Polish]|O3|(OO2)|[OO2]|Ground Level Ozone|OXYGEN, MOL|OZONE [HSDB]|OZONE [INCI]|OZONE [FCC]|OZONE [WHO-DD]|OZONE [MI]|OZONE (O3)|OXYGEN, MOL. (O3)|DTXCID001098|CHEMBL2447938|OZONE(16O16O16O)|CBENFWSGALASAD-UHFFFAOYSA-N|DB12510|NS00076141|Q36933
Canonical SMILES: O=[O+][O-]
Standard InChI: InChI=1S/O3/c1-3-2
Standard InChI Key: CBENFWSGALASAD-UHFFFAOYSA-N
Alternative Forms
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | Topical: No | First In Class: No | Black Box: No |
| Chirality: Yes | Availability: No | Prodrug: No |
Drug Indications
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Calculated Properties
| Molecular Weight: 48.00 | Molecular Weight (Monoisotopic): 47.9847 | AlogP: -1.12 | #Rotatable Bonds: 0 |
| Polar Surface Area: 51.43 | Molecular Species: ACID | HBA: 2 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: -1.27 | CX Basic pKa: | CX LogP: -0.21 | CX LogD: -2.59 |
| Aromatic Rings: 0 | Heavy Atoms: 3 | QED Weighted: 0.20 | Np Likeness Score: -0.23 |
References
| 1. Unpublished dataset, |
| 2. Unpublished dataset, |
Source
Source(2):