Molecule card · MolClass #42499
17514212
17514212: 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
- 17514212Mitochondrial Fusion · compound_name
- MolClass ID
- 42499
- InChIKey
- VXBQYYALNXGKQZ-UHFFFAOYSA-N
- Canonical SMILES
- O=C1C=C(N=C(O1)c2ccccc2(F))c3ccccc3(F)
- Standard InChI
- InChI=1S/C16H9F2NO2/c17-12-7-3-1-5-10(12)14-9-15(20)21-16(19-14)11-6-2-4-8-13(11)18/h1-9H
- Stored Murcko scaffold
- N1=C(O[CH]C=C1c2ccccc2)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.
- 22400517#43075
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- 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
- 38.66 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 285.246 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.1
- 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 · 17514212