Molecule card · MolClass #35648
7974769
7974769: 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
- 7974769Mitochondrial Fusion · compound_name
- MolClass ID
- 35648
- InChIKey
- DUFGGHRGHRZDBI-UHFFFAOYSA-N
- Canonical SMILES
- CC2(C)(C(c1ccccc1)=[N+]([O-])CN2(O))
- Standard InChI
- InChI=1S/C11H14N2O2/c1-11(2)10(12(14)8-13(11)15)9-6-4-3-5-7-9/h3-7,15H,8H2,1-2H3
- Stored Murcko scaffold
- c1ccc(cc1)C2=[NH+]CNC2
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
- 0
- 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
- 49.54 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 206.241 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.539
- 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 · 7974769