Molecule card · MolClass #42360
24816380
24816380: 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
- 24816380Mitochondrial Fusion · compound_name
- MolClass ID
- 42360
- InChIKey
- RQXXKJZDJUYEOC-UHFFFAOYSA-N
- Canonical SMILES
- O=C(NC1(OCCO1)C(F)(F)F)c2ccc(F)cc2
- Standard InChI
- InChI=1S/C11H9F4NO3/c12-8-3-1-7(2-4-8)9(17)16-11(10(13,14)15)18-5-6-19-11/h1-4H,5-6H2,(H,16,17)
- Stored Murcko scaffold
- O1CCOC1N[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.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 47.56 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 279.188 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.728
- 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 · 24816380