Molecule card · MolClass #40121
24825032
24825032: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
1 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 24825032Mitochondrial Fusion · compound_name
- MolClass ID
- 40121
- InChIKey
- MEUNBHFVIAGGMJ-UHFFFAOYSA-N
- Canonical SMILES
- O=C2OCC(c1ccccc1)=C2c3ccccc3[N+](=O)[O-]
- Standard InChI
- InChI=1S/C16H11NO4/c18-16-15(12-8-4-5-9-14(12)17(19)20)13(10-21-16)11-6-2-1-3-7-11/h1-9H,10H2
- Stored Murcko scaffold
- O1[CH]C(c2ccccc2)=C(c3ccccc3)C1
Registry normalization: MIGRATED_RAW. A registry entry does not establish drug approval or clinical use.
Molecules with the same Murcko scaffold
Exact matches to the stored ring-and-linker framework. Sharing a scaffold does not by itself establish activity or applicability to a model.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 69.44 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 281.263 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.623
- CDK 2.12 · 2026-08-19
Saved model predictions
Computational predictions, not experimental measurements or clinical guidance. Results depend on the model build; applicability indicates similarity to its training chemistry.
No saved predictions yet. Explore classification models to choose a prediction.
Source datasets
Dataset registrations and identifiers stored in MolClass.
Mitochondrial Fusion
Dataset #19 · 24825032