Molecule card · MolClass #42364
24808801
24808801: 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
- 24808801Mitochondrial Fusion · compound_name
- MolClass ID
- 42364
- InChIKey
- QVOJDHFRGANLGJ-UHFFFAOYSA-N
- Canonical SMILES
- Cc1nn(c(C)c1[N+](=O)[O-])c2cccc(c2)C(=O)O
- Standard InChI
- InChI=1S/C12H11N3O4/c1-7-11(15(18)19)8(2)14(13-7)10-5-3-4-9(6-10)12(16)17/h3-6H,1-2H3,(H,16,17)
- Stored Murcko scaffold
- n1cccn1-c2ccccc2
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.
View all molecules with this scaffold →Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 98.26 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 261.234 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.412
- 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 · 24808801