Molecule card · MolClass #51708
14731182
14731182: 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
- 14731182Mitochondrial Fusion · compound_name
- MolClass ID
- 51708
- InChIKey
- FQVUFLCKHQXQCC-UHFFFAOYSA-N
- Canonical SMILES
- CC=2OC=CC(=O)C=2(OC(=O)Nc1ccc(c(c1)Cl)Cl)
- Standard InChI
- InChI=1S/C13H9Cl2NO4/c1-7-12(11(17)4-5-19-7)20-13(18)16-8-2-3-9(14)10(15)6-8/h2-6H,1H3,(H,16,18)
- Stored Murcko scaffold
- O1C=C[CH]C(O[CH]Nc2ccccc2)=C1
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.
- 857548#26873
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- 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
- 64.63 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 314.121 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.119
- 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 · 14731182