Molecule card · MolClass #43877
14736638
14736638: 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
- 14736638Mitochondrial Fusion · compound_name
- MolClass ID
- 43877
- InChIKey
- ZZOQCZPOSYUYQZ-UHFFFAOYSA-N
- Canonical SMILES
- Oc1ccccc1C=2CC(O)(ON=2)C(F)F
- Standard InChI
- InChI=1S/C10H9F2NO3/c11-9(12)10(15)5-7(13-16-10)6-3-1-2-4-8(6)14/h1-4,9,14-15H,5H2
- Stored Murcko scaffold
- N=1OCCC1c2ccccc2
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 62.05 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 229.181 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.319
- 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 · 14736638