Molecule card · MolClass #38862
7970591
7970591: 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
- 7970591Mitochondrial Fusion · compound_name
- MolClass ID
- 38862
- InChIKey
- FNPRWJJXZNBYJK-VIZOYTHASA-N
- Canonical SMILES
- CC2=CC(O)=C(C=Nc1cccc(c1)Cl)C(=O)O2
- Standard InChI
- InChI=1S/C13H10ClNO3/c1-8-5-12(16)11(13(17)18-8)7-15-10-4-2-3-9(14)6-10/h2-7,16H,1H3/b15-7+
- Stored Murcko scaffold
- N(=CC=1[CH]OC=CC1)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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 58.89 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 263.677 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.467
- 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 · 7970591