Molecule card · MolClass #41895
22402301
22402301: 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
- 22402301Mitochondrial Fusion · compound_name
- MolClass ID
- 41895
- InChIKey
- VIOVAUGSESYAND-UHFFFAOYSA-N
- Canonical SMILES
- O=C1NC(CCC1(Cl)Cl)c2ccccc2
- Standard InChI
- InChI=1S/C11H11Cl2NO/c12-11(13)7-6-9(14-10(11)15)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,14,15)
- Stored Murcko scaffold
- c1ccc(cc1)C2N[CH]CCC2
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 29.1 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 244.117 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.458
- 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 · 22402301