Molecule card · MolClass #37516
24794227
24794227: 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
- 24794227Mitochondrial Fusion · compound_name
- MolClass ID
- 37516
- InChIKey
- QYDWSMYWFNTNGL-UHFFFAOYSA-N
- Canonical SMILES
- Cc2cc(nn2(CC(=O)c1ccccc1))[N+](=O)[O-]
- Standard InChI
- InChI=1S/C12H11N3O3/c1-9-7-12(15(17)18)13-14(9)8-11(16)10-5-3-2-4-6-10/h2-7H,8H2,1H3
- Stored Murcko scaffold
- n1cccn1C[CH]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.
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 78.03 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 245.235 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.411
- 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 · 24794227