Molecule card · MolClass #44547
22404146
22404146: 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
- 22404146Mitochondrial Fusion · compound_name
- MolClass ID
- 44547
- InChIKey
- GGNZTKZIMGRKPH-UHFFFAOYSA-N
- Canonical SMILES
- NC=1OCC(=O)C=1c2ccc(cc2)[N+](=O)[O-]
- Standard InChI
- InChI=1S/C10H8N2O4/c11-10-9(8(13)5-16-10)6-1-3-7(4-2-6)12(14)15/h1-4H,5,11H2
- Stored Murcko scaffold
- O1C=C([CH]C1)c2ccccc2
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.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 95.46 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 220.182 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.345
- 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 · 22404146