Molecule card · MolClass #37979
7969393
7969393: 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
- 7969393Mitochondrial Fusion · compound_name
- MolClass ID
- 37979
- InChIKey
- BELIUNVLICTPMN-UHFFFAOYSA-N
- Canonical SMILES
- Oc1cc(c2CCCc2(n1))c3ccccc3Cl
- Standard InChI
- InChI=1S/C14H12ClNO/c15-12-6-2-1-4-9(12)11-8-14(17)16-13-7-3-5-10(11)13/h1-2,4,6,8H,3,5,7H2,(H,16,17)
- Stored Murcko scaffold
- n1ccc(-c2ccccc2)c3c1CCC3
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.
- 14738702#31914
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- 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
- 33.12 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 245.705 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.003
- 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 · 7969393