Molecule card · MolClass #8298
10560-74-4
10560-74-4: 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
- MolClass ID
- 8298
- InChIKey
- QHDKBUNBGOAFRS-UHFFFAOYSA-N
- Canonical SMILES
- CC1CNC(=O)N1c2ncc([N+](=O)[O-])s2
- Standard InChI
- InChI=1S/C7H8N4O3S/c1-4-2-8-6(12)10(4)7-9-3-5(15-7)11(13)14/h3-4H,2H2,1H3,(H,8,12)
- Stored Murcko scaffold
- n1ccsc1N2[CH]NCC2
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.
- Niridazole#1561
- 10227-50-6#4342
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
- 116.61 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 228.23 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -0.233
- 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.
Ames Categorization
Dataset #6 · 10560-74-4