Molecule card · MolClass #43861
24818594
24818594: 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
- 24818594Mitochondrial Fusion · compound_name
- MolClass ID
- 43861
- InChIKey
- JFPCFYAVJWMUNI-UHFFFAOYSA-N
- Canonical SMILES
- O=C(N1CCCC1)C(F)(F)Oc2ccc(F)cc2
- Standard InChI
- InChI=1S/C12H12F3NO2/c13-9-3-5-10(6-4-9)18-12(14,15)11(17)16-7-1-2-8-16/h3-6H,1-2,7-8H2
- Stored Murcko scaffold
- O(c1ccccc1)C[CH]N2CCCC2
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
- 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
- 29.54 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 259.225 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.385
- 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 · 24818594