Molecule card · MolClass #14931
1916211
1916211: 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
- 14931
- InChIKey
- FLQQIEPERWHEPS-UHFFFAOYSA-O
- Canonical SMILES
- CC(=O)N[N+]=2Cc1ccccc1C=2(N)
- Standard InChI
- InChI=1S/C10H11N3O/c1-7(14)12-13-6-8-4-2-3-5-9(8)10(13)11/h2-5,11H,6H2,1H3,(H,12,14)/p+1
- Stored Murcko scaffold
- c1ccc2c(c1)C=[NH+]C2
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.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 58.13 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 190.222 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.139
- 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.
Auto-fluorescence Prediction
Dataset #13 · 1916211