Molecule card · MolClass #38799
857933
857933: 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
- 857933Mitochondrial Fusion · compound_name
- MolClass ID
- 38799
- InChIKey
- HKNIUAPFBJQFIX-LDWIPMOCSA-N
- Canonical SMILES
- CC1CC(O)c2cc(ccc2(N1))Cl
- Standard InChI
- InChI=1S/C10H12ClNO/c1-6-4-10(13)8-5-7(11)2-3-9(8)12-6/h2-3,5-6,10,12-13H,4H2,1H3/t6-,10+/m1/s1
- Stored Murcko scaffold
- c1ccc2c(c1)NCCC2
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 32.26 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 197.662 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.19
- 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 · 857933