The store will not work correctly when cookies are disabled.
2,4'-OXYBIS(NITROBENZENE)
ID: ALA2270121
Max Phase: Preclinical
Molecular Formula: C12H8N2O5
Molecular Weight: 260.20
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=[N+]([O-])c1ccc(Oc2ccccc2[N+](=O)[O-])cc1
Standard InChI: InChI=1S/C12H8N2O5/c15-13(16)9-5-7-10(8-6-9)19-12-4-2-1-3-11(12)14(17)18/h1-8H
Standard InChI Key: KDIBCWWBNMTRPK-UHFFFAOYSA-N
Associated Targets(non-human)
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: No | Availability: No | Prodrug: No |
Drug Indications
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 260.20 | Molecular Weight (Monoisotopic): 260.0433 | AlogP: 3.30 | #Rotatable Bonds: 4 |
| Polar Surface Area: 95.51 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 3.35 | CX LogD: 3.35 |
| Aromatic Rings: 2 | Heavy Atoms: 19 | QED Weighted: 0.62 | Np Likeness Score: -1.23 |
References
| 1. Xu H, Jian KZ, Guan Q, Ye F, Lv M.. (2007) Antifungal activity of some diaryl ethers., 55 (12): [PMID:18057754] [10.1248/cpb.55.1755] |
