Molecule card · MolClass #38736
14719099
14719099: 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
- 14719099Mitochondrial Fusion · compound_name
- MolClass ID
- 38736
- InChIKey
- WTGYMXRIRQMZRH-UHFFFAOYSA-N
- Canonical SMILES
- CC1=CC(C)(C(C)=CC1(=O))C(Cl)Cl
- Standard InChI
- InChI=1S/C10H12Cl2O/c1-6-5-10(3,9(11)12)7(2)4-8(6)13/h4-5,9H,1-3H3
- Stored Murcko scaffold
- [CH]1C=CCC=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.
- 13154-57-9#4957
- 14740872#27853
- CC1=CC(=O)C=C(C)C1(C)C#150761
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 17.07 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 219.108 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.56
- 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 · 14719099