Molecule card · MolClass #42227
14728240
14728240: 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
- 14728240Mitochondrial Fusion · compound_name
- MolClass ID
- 42227
- InChIKey
- WAXYLNFKWFMYDT-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)n2cc3ccc(cc3(n2))[N+](=O)[O-]
- Standard InChI
- InChI=1S/C14H11N3O2/c1-10-2-5-12(6-3-10)16-9-11-4-7-13(17(18)19)8-14(11)15-16/h2-9H,1H3
- Stored Murcko scaffold
- n1c2ccccc2cn1-c3ccccc3
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
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 60.96 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 253.257 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.16
- 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 · 14728240