Molecule card · MolClass #37874
17511787
17511787: 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
- 17511787Mitochondrial Fusion · compound_name
- MolClass ID
- 37874
- InChIKey
- QSHVRKJQAHHUCK-UHFFFAOYSA-N
- Canonical SMILES
- Cn3cnc(c3(Oc1ccc2ccccc2(c1)))[N+](=O)[O-]
- Standard InChI
- InChI=1S/C14H11N3O3/c1-16-9-15-13(17(18)19)14(16)20-12-7-6-10-4-2-3-5-11(10)8-12/h2-9H,1H3
- Stored Murcko scaffold
- n1c[nH]c(Oc2ccc3ccccc3c2)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.
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 70.19 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 269.256 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.88
- 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 · 17511787