Molecule card · MolClass #46212
14738026
14738026: 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
- 14738026Mitochondrial Fusion · compound_name
- MolClass ID
- 46212
- InChIKey
- WXUYFMQIXXKENB-UHFFFAOYSA-N
- Canonical SMILES
- Nc2ccccc2(Nc1ccncc1[N+](=O)[O-])
- Standard InChI
- InChI=1S/C11H10N4O2/c12-8-3-1-2-4-9(8)14-10-5-6-13-7-11(10)15(16)17/h1-7H,12H2,(H,13,14)
- Stored Murcko scaffold
- n1ccc(cc1)Nc2ccccc2
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 94.08 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 230.223 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.915
- 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 · 14738026