Molecule card · MolClass #7448
932-83-2
932-83-2: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
2 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- MolClass ID
- 7448
- InChIKey
- UZMVSVHUTOAPTD-UHFFFAOYSA-N
- Canonical SMILES
- O=NN1CCCCCC1
- Standard InChI
- InChI=1S/C6H12N2O/c9-7-8-5-3-1-2-4-6-8/h1-6H2
- Stored Murcko scaffold
- N1CCCCCC1
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.
- 111-49-9#2807
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
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 32.67 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 128.173 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.176
- 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.
Toxicity Benchmark
Dataset #5 · 932-83-2
Ames Categorization
Dataset #6 · 932-83-2