Molecule card · MolClass #45535
14732313
14732313: 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
- 14732313Mitochondrial Fusion · compound_name
- MolClass ID
- 45535
- InChIKey
- YKJYDSZDWJRHHS-VQHVLOKHSA-N
- Canonical SMILES
- Cc3noc(C=Cc1ccc(o1)c2ccccc2Cl)c3[N+](=O)[O-]
- Standard InChI
- InChI=1S/C16H11ClN2O4/c1-10-16(19(20)21)15(23-18-10)9-7-11-6-8-14(22-11)12-4-2-3-5-13(12)17/h2-9H,1H3/b9-7+
- Stored Murcko scaffold
- n1oc(cc1)C=Cc2oc(cc2)-c3ccccc3
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
- 0
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 82.31 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 330.723 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.642
- 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 · 14732313