Molecule card · MolClass #35634
14742189
14742189: 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
- 14742189Mitochondrial Fusion · compound_name
- MolClass ID
- 35634
- InChIKey
- FXXJOCHTLGGOQR-UHFFFAOYSA-N
- Canonical SMILES
- CON3C(=O)C(c1cccs1)=[N+]([O-])c2ccccc23
- Standard InChI
- InChI=1S/C13H10N2O3S/c1-18-15-10-6-3-2-5-9(10)14(17)12(13(15)16)11-7-4-8-19-11/h2-8H,1H3
- Stored Murcko scaffold
- n1cc([nH+]c2ccccc12)-c3sccc3
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.
No other molecules currently have this stored scaffold.
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 83.85 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 274.297 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.099
- 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 · 14742189